474	643	983	0:SP3_SP1_SP2	C[5,6]	C[6,6a]	C	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[5]-4:N[5,6]-3:C-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN)	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(C[5,6]C[6,6a]N[5,6]C[5])(N)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(CN){1|C<4>,1|O<1>,2|H<1>,6|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|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[6,6a]N[5,6]C[5])(N)	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	106.5710	0.000	1	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[5]-3:C[5]-3:C-2:	C[5a,6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(N)	C[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]C)(C[5]C[5]O)(CN){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[5]C[5]2C){1|H<1>,1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C(C[5]C[6a]C[5]2)(N)	114.4140	0.752	2	114.4140	0.566	2	114.4140	0.566	2	114.4140	0.566	2	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[5]C[5,6]C[6a]C[5])(N)	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]C)(CN){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[6a]C[5])(N)	110.4170	0.000	1	110.4170	0.000	1	110.4170	0.000	1	110.6053	0.429	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]2C[6a])(N)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[5]C[5,6a]2C[6a])(N)	111.3340	0.000	1	111.3340	0.000	1	111.3340	0.000	1	110.6053	0.429	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-3:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CN){1|C<2>,3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N)	110.0650	0.000	1	110.0650	0.000	1	110.0650	0.000	1	110.6053	0.429	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	4:3:3:	4:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(CC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a])	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	110.9360	0.000	1	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6a]-3:N[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC)	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]N[5])(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(CC){1|O<1>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]N[5])(CNO)	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	110.4780	0.000	1	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:4:2:	4:3:3:	4:1:	C[5,6a]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]HH)(CN){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N)	108.6710	0.000	1	108.6710	0.000	1	108.6710	0.000	1	110.4167	2.740	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:4:2:	4:3:3:	4:1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|O<1>,4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	110.6150	0.000	1	111.2895	0.910	2	111.2895	0.910	2	110.4167	2.740	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:3:4:2:	4:3:3:	4:1:	N[5]-3:C[6a]-3:C[5]-4:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]N[5])(N)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	111.9640	0.000	1	111.2895	0.910	2	111.2895	0.910	2	110.4167	2.740	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(CC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[6a])	110.7210	0.000	1	110.7210	0.000	1	111.3393	3.037	3	111.3393	3.037	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(CC[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[5])	109.9900	0.000	1	109.9900	0.000	1	111.3393	3.037	3	111.3393	3.037	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:2:2:	4:3:3:	4:2:	C[6a]-3:C[5]-4:O[5]-2:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC)	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2	C(C[5]C[6a]C[5]O[5])(CC[6a])	C[5](C[6a]C[6a]2)(C[5]C[5]HI)(O[5]C[5])(CC){2|C<3>,6|H<1>}	C[6a](C[5]C[5]O[5]C)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(CC[6a])	113.3070	0.000	1	113.3070	0.000	1	111.3393	3.037	3	111.3393	3.037	3	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6]C[6a]C[5])(N)	C[5](C[5,6]C[5,6]N[6])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6]C[5]C)(C[6a]C[6a]H)2{2|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6]C[6a]C[5])(N)	111.6347	0.561	3	111.6347	0.315	3	111.6347	0.315	3	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N)	111.9710	0.000	1	111.9710	0.000	1	111.2630	0.326	6	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5]H)(C[6a]C[6a]2)(CN){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(N)	111.4220	0.000	1	111.4220	0.000	1	111.2630	0.326	6	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(N)	111.1095	0.940	2	111.1095	0.883	2	111.2630	0.326	6	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[5,6a]-3:C[5]-4:C[6a]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN)	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2	C(C[5]C[5,6a]C[6a]C[5])(N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)(CN){3|H<1>,6|C<3>}	C[6a](C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(N)	110.9830	0.132	2	110.9830	0.017	2	111.2630	0.326	6	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C(C[5]C[6a]C[5]N[5])(N)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]C)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(N)	109.8440	0.000	1	109.8440	0.000	1	109.8440	0.000	1	111.2326	0.520	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(N)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(N)	110.7955	0.490	8	110.7262	0.305	10	110.7262	0.305	10	110.7262	0.305	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(N)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(N)	109.7890	0.000	1	110.7262	0.305	10	110.7262	0.305	10	110.7262	0.305	10	111.1186	1.458	33	110.9849	2.022	34
474	643	983	0:SP3_SP1_SP2	C[5]	C[6a]	C	4:3:4:2:	3:3:4:	4:1:	C[5]-4:C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C)	C(C[5]C[6a]C[5]2)(N)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)(CN){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2C){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C(C[5]C[6a]C[5]2)(N)	111.1090	0.000	1	110.7262	0.305	10	110.7262	0.305	10	110.7262	0.305	10	111.1186	1.458	33	110.9849	2.022	34
474	643	992	0:SP3_SP2_SP3	C[5]	C[6a]	P	3:4:4:4:	3:3:4:	4:2:2:1:	C[6a]-3:C[5]-4:C[5]-4:P-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:O-2:O-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3)	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P)	P(C[5]C[6a]C[5]2)(OC)2(O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)(PO3){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]C[5]2P){1|C<4>,3|C<3>,5|H<1>}	P(C[5]C[6a]C[5]2)(OC)2(O)	105.2900	0.253	2	105.2900	0.064	2	105.2900	0.064	2	105.2900	0.064	2	105.7637	0.705	3	105.7637	0.705	3
474	643	992	0:SP3_SP2_SP3	C[5]	C[6a]	P	4:3:3:4:	4:3:3:	4:2:2:1:	C[5]-4:C[6a]-3:N[5]-3:P-4:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O-2:O-2:O-1:	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3)	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2	P(C[5]C[6a]C[5]N[5])(OC)2(O)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(PO3){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]P)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	P(C[5]C[6a]C[5]N[5])(OC)2(O)	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	106.7110	0.000	1	105.7637	0.705	3	105.7637	0.705	3
474	643	997	0:SP3_SP2_SP3	C[5,3x6]	C[6,6,6a]	Se[5]	3:3:3:2:	4:3:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:Se[5]-2:	C[5,3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,3x6]-4:C[5]-3:	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5])	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)	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)	C[5,3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5])(Se[5]C[5]){1|C<4>,3|H<1>,6|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>}	Se[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C){6|C<3>}	116.0025	0.138	2	116.0025	0.019	2	116.0025	0.019	2	116.0025	0.019	2	116.0025	0.019	2	110.5956	16.416	7
474	643	997	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	Se[5]	3:3:3:2:	4:3:3:	4:3:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:Se[5]-2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5])	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(Se[5]C[5]){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[5,6]C[5,6a]C[6,6a]Se[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	Se[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O){6|C<3>}	108.9085	0.132	2	108.9085	0.017	2	108.9085	0.017	2	108.9085	0.017	2	108.9085	0.017	2	110.5956	16.416	7
474	643	997	0:SP3_SP2_SP3	C[5,6]	C[6a]	Se[5]	2:3:4:2:	4:3:3:	4:4:	O[5,6]-2:C[6a]-3:C[6]-4:Se[5]-2:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:P[5]-4:	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5])	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2	Se[5](C[5,6]O[5,6]C[6a]C[6])(P[5]C[5,6]C[6a]Se)	C[5,6](O[5,6]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(Se[5]P[5]){1|Se<1>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[5,6]O[5,6]Se[5]C[6])(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,4|H<1>}	Se[5](C[5,6]O[5,6]C[6a]C[6])(P[5]C[5,6]C[6a]Se){2|C<4>,2|H<1>,5|C<3>}	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	110.5956	16.416	7
474	643	997	0:SP3_SP2_SP3	C[5]	C[6a]	Se[5]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-3:	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	Se[5](C[5]C[6a]C[5]H)(C[5]O[5]N)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(Se[5]C[5])(H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	Se[5](C[5]C[6a]C[5]H)(C[5]O[5]N){2|C<3>,2|H<1>}	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	108.2700	15.702	2	110.5956	16.416	7
474	643	997	0:SP3_SP2_SP3	C[5]	C[6a]	Se[5]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[5]-4:Se[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	P[5]-4:C[5]-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H)	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2	Se[5](P[5]C[6a]C[5]Se)(C[5]C[6a]C[5]H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(Se[5]P[5])(H){1|Se<1>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|C<4>,3|H<1>}	Se[5](P[5]C[6a]C[5]Se)(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	105.4680	0.000	1	108.2700	15.702	2	110.5956	16.416	7
474	643	999	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	N[5,5,6]	4:3:4:1:	4:3:3:	4:4:3:1:	N[5,5,6]-4:C[6,6a]-3:C[5,6]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:N[5,5,6]-3:H-1:	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H)	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H)	C[5,6](N[5,5,6]C[5,5,6]N[5,5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6,6a](C[5,6]N[5,5,6]C[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(N[5,5,6]C[5,5,6]C[5])(H){2|C<3>,4|C<4>,6|H<1>}	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	115.9750	0.000	1	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	N[5]	3:4:3:4:	4:3:3:	4:4:1:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]C[6a]N[5])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	111.6995	1.203	2	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5,6]	C[6,6a]	N[5]	3:4:4:1:	4:3:3:	4:2:1:1:	C[6,6a]-3:C[5,6]-4:N[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:O[5]-2:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H)	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]O[5]HH)(H){1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[5,6]C[5,6]N[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(H)2{1|C<4>,2|C<3>,3|H<1>}	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	111.6995	1.203	2	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5,6]	C[6a]	N[5]	3:4:3:4:	4:3:3:	4:4:1:1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH)	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[5,6]C[6,6a]C[5,6]N[5])(C[6a]C[6a]H)2{2|C<4>,4|C<3>,5|H<1>}	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,5|C<3>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	111.8050	8.193	2	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5,6]	C[6a]	N[5]	4:3:4:4:	4:3:3:	4:4:4:1:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-4:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C-4:H-1:	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH)	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C)	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]CH){1|C<4>,3|C<3>,8|H<1>}	C[6a](C[5,6]C[5,6]C[6]N[5])(C[6a]C[5,6a]H)(C[6a]C[6a]C){1|O<2>,1|S<4>,2|C<3>,4|C<4>,4|H<1>}	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	113.8290	0.000	1	111.8050	8.193	2	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5,5]	4:3:4:1:	4:3:3:	4:4:4:3:	N[5,5]-4:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C[5](N[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	114.2330	0.000	1	114.3275	0.872	4	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5,5]	4:4:3:1:	4:3:3:	4:3:4:1:	C[5,5]-4:N[5,5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6a](C[5]C[5,5]N[5,5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	114.3275	0.872	4	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5,5]	4:4:3:4:	4:3:3:	5:4:4:1:	N[5,5]-4:C[5]-4:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:	Ga[3x5]-5:C[5]-4:C[5]-4:H-1:	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN)	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H)	C[5](N[5,5]Ga[3x5]C[5]H)(C[5]N[5,5]HH)(C[6a]C[6a]2)(CHHN){2|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6a](C[5]N[5,5]C[5]C)(C[6a]C[6a]H)2{1|Ga<5>,1|C<3>,1|C<4>,1|N<4>,5|H<1>}	N[5,5](Ga[3x5]N[5,5]O[5]2O)(C[5]C[6a]C[5]C)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	113.8365	0.984	2	113.8365	0.967	2	113.8365	0.967	2	113.8365	0.967	2	114.3275	0.872	4	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5,6,6]	4:4:3:1:	4:3:3:	3:4:4:1:	N[5,6,6]-4:C[5,5,6]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	C[5](N[5,6,6]N[5,6,6]C[3x6]H)(C[5,5,6]C[5,5,6]2H)(C[6a]C[6a]2)(H){2|C<3>,5|H<1>,6|C<4>}	C[6a](C[5]C[5,5,6]N[5,6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:3:4:2:	4:3:3:	4:4:2:1:	C[6a]-3:C[6a]-3:N[5]-4:N[5]-2:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C-4:O[5]-2:H-1:	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5])	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H)	C[5](C[6a]C[6a]2)2(N[5]O[5]CH)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[5]C[6a]N[5]2)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])(H){1|N<3>,4|C<3>}	110.4385	1.153	2	110.4385	1.330	2	110.4385	1.330	2	110.4385	1.330	2	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:N[5]-4:N[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[5]N[5]2C){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(H)2{1|C<4>,1|O<1>,2|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:2:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a])	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2	C[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)(N[5]C[5]HH)(H){2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:2:4:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:C-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]CH)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)(H){2|C<3>,2|H<1>,2|S<4>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.9990	0.000	1	112.8530	0.043	2	112.3402	0.477	5	112.3402	0.477	5	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|H<1>,4|C<3>}	112.7070	0.000	1	112.8530	0.043	2	112.3402	0.477	5	112.3402	0.477	5	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.3402	0.477	5	112.3402	0.477	5	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]HH)(H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,6|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{2|C<3>,4|H<1>}	111.8770	0.000	1	111.8770	0.000	1	112.3402	0.477	5	112.3402	0.477	5	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:1:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	111.3640	0.000	1	111.3640	0.000	1	112.3402	0.477	5	112.3402	0.477	5	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	3:4:4:1:	4:3:3:	4:4:4:1:	C[6a]-3:C[5]-4:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]CH)(H){1|C<3>,1|N<2>,6|H<1>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,3|C<4>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,4|H<1>}	114.8845	0.378	2	114.8845	0.143	2	114.8845	0.143	2	114.8845	0.143	2	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	4:3:4:1:	4:3:3:	4:4:1:1:	C[5,5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2	C[5](C[5,5]C[5,6a]C[5,5]N)(C[6a]C[6a]2)(N[5]C[5]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[5]C[5,5]N[5]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)2{1|H<1>,2|N<3>,3|C<3>}	113.7650	0.000	1	113.7650	0.000	1	113.7650	0.000	1	113.3985	0.269	2	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	4:3:4:1:	4:3:3:	4:4:1:1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)2{2|H<1>,3|C<3>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	113.3985	0.269	2	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	4:3:4:1:	4:3:3:	4:4:4:1:	C[5]-4:C[6a]-3:N[5]-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5]-4:S-4:H-1:	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]HS)(H){1|Fe<6>,4|H<1>,5|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,1|S<4>,2|C<3>,4|H<1>}	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5]H)(SC[6a]OO)(H){1|Fe<6>,1|N<3>,2|H<1>,4|C<3>}	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	114.4990	0.000	1	112.5319	3.533	16	112.7952	3.633	26
474	643	999	0:SP3_SP2_SP3	C[5]	C[6a]	N[5]	4:4:3:1:	4:3:3:	3:4:1:1:	C[5]-4:N[5]-4:C[6a]-3:H-1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:H-1:H-1:	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C[6a](C[5]C[5]N[5]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(H)2{1|H<1>,2|C<4>,4|C<3>}	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	112.5319	3.533	16	112.7952	3.633	26
474	643	999	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	N[5,6,6]	4:4:3:1:	4:3:2:	4:4:4:1:	N[5,6,6]-4:C[5,6]-4:C[6,6a]-3:H-1:	C[5,6]-4:C[6,6a]-3:N[6a]-2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:H-1:	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(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])	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H)	C[5,6](N[5,6,6]C[5,6,6]C[6,6]H)(C[5,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]N[6a])(H){2|C<3>,4|C<4>,6|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>}	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[6,6a]C[5,6]H)(C[6,6]C[6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4440	0.000	1	113.4935	0.005	2
474	643	999	6:SP3_SP2_SP3	C[5,6]	C[6,6a]	N[5,6]	3:4:4:1:	4:3:3:	4:4:4:1:	C[6,6a]-3:N[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5]-4:C[6]-4:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(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)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(H){2|C<4>,4|C<3>,6|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>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.5430	0.000	1	113.4935	0.005	2
474	654	951	0:SP3_SP-NON_SP3	C[5,5]	B[3,5]	H	4:4:4:1:	4:4:3:3:	4:	B[3,5]-4:C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:C[3]-4:O[3,5]-3:C[6a]-3:	C[5,5]-4:	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H)	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2)	H(C[5,5]B[3,5]C[5,5]P[5])	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H){1|C<4>,4|H<1>,9|C<3>}	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|F<1>,8|C<3>}	H(C[5,5]B[3,5]C[5,5]P[5])	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	106.0510	0.000	1	107.8690	6.610	2
474	654	951	0:SP3_SP-NON_SP3	C[5]	B[3,5]	H	4:4:4:1:	5:4:3:4:	4:	B[3,5]-4:C[5]-4:C-4:H-1:	B[3]-5:C[3,5]-4:C[6a]-3:C[5]-4:	C[5]-4:	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H)	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	H(C[5]B[3,5]C[5]C)	C[5](B[3,5]C[3,5]C[6a]B[3])(C[5]C[5]HH)(CC[6a]HH)(H){1|N<3>,2|H<1>,4|C<3>}	B[3,5](B[3]C[3,5]C[6a]2H)(C[3,5]B[3]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|F<1>,2|H<1>,6|C<3>}	H(C[5]B[3,5]C[5]C)	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	107.8690	6.610	2
474	654	955	0:SP3_SP3_SP3	C[5,5]	B[3,5]	P[5]	4:4:4:1:	4:4:3:3:	4:3:3:4:	B[3,5]-4:C[5,5]-4:P[5]-4:H-1:	C[5,5]-4:C[3]-4:O[3,5]-3:C[6a]-3:	C[5,5]-4:C[6a]-3:C[6a]-3:C[5]-4:	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H)	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2)	P[5](C[5,5]B[3,5]C[5,5]H)(C[6a]C[6a]2)2(C[5]C[5]HH)	C[5,5](B[3,5]O[3,5]C[6a]C[3])(C[5,5]B[5]C[5]H)(P[5]C[6a]2C[5])(H){1|C<4>,4|H<1>,9|C<3>}	B[3,5](C[5,5]C[5,5]P[5]H)(C[3]O[3,5]C[6a]H)(O[3,5]B[5]C[3])(C[6a]C[6a]2){1|H<1>,2|C<4>,2|F<1>,8|C<3>}	P[5](C[5,5]B[3,5]C[5,5]H)(C[6a]C[6a]2)2(C[5]C[5]HH){1|B<4>,1|O<3>,2|C<4>,5|C<3>,6|H<1>}	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1	130.3620	0.000	1
474	658	818	0:SP3_SP2_SP3	C[5,6]	Si[6]	C[5]	4:4:3:1:	4:3:4:4:	4:2:1:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	C[5](C[5,6]C[5,6]Si[6]H)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]Si[6]H)(O[5]C[5])(O){1|C<3>,3|C<4>,3|H<1>}	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1
474	658	951	0:SP3_SP-NON_SP3	C[5,6,6]	Si[6]	H	4:4:4:1:	4:4:3:3:	4:	C[5,6,6]-4:C[5,5,6]-4:Si[6]-4:H-1:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H)	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	C[5,6,6](C[5,6,6]C[5,5,6]C[6,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(Si[6]C[6a]2C[6])(H){1|C<4>,6|C<3>,7|H<1>}	Si[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{3|C<4>,6|C<3>,6|H<1>}	H(C[5,6,6]C[5,5,6]C[5,6,6]Si[6])	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	106.6200	0.000	1	110.6338	32.218	5
474	658	951	0:SP3_SP-NON_SP3	C[5,6]	Si[6]	H	4:4:3:1:	4:3:4:4:	4:	C[5,6]-4:Si[6]-4:C[5]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-4:C-4:	C[5,6]-4:	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H)	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	H(C[5,6]C[5,6]Si[6]C[5])	C[5,6](C[5,6]C[5]C[6]H)(Si[6]C[6a]C[6]C)(C[5]O[5]O)(H){1|C<4>,2|C<3>,6|H<1>}	Si[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[5,6]C[5,6]Si[6]C[5])	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	120.6430	0.000	1	110.6338	32.218	5
474	658	951	0:SP3_SP-NON_SP3	C[5]	Si[6]	H	4:4:4:1:	4:2:2:2:	4:	Si[6]-4:C[5]-4:C[5]-4:H-1:	C[5]-4:O[6]-2:O[6]-2:O-2:	C[5]-4:	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H)	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6])	H(C[5]Si[6]C[5]2)	C[5](Si[6]O[6]2O)(C[5]C[5]HH)2(H){2|Si<4>,4|H<1>}	Si[6](C[5]C[5]2H)(O[6]Si[6])2(OSi[6]){3|O<2>,4|C<4>,4|H<1>}	H(C[5]Si[6]C[5]2)	108.6353	0.546	3	108.6353	0.298	3	108.6353	0.298	3	108.6353	0.298	3	108.6353	0.298	3	110.6338	32.218	5
474	679	727	5:SP3_SP2_SP3	C[5]	B[5,6a]	C[5,6a]	3:4:4:1:	4:2:2:2:	4:3:3:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	C[5,6a](C[5]B[5,6a]N[6]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	101.5940	0.000	1	101.5940	0.000	1	101.5940	0.000	1	101.5940	0.000	1	101.5940	0.000	1	101.5940	0.000	1
474	679	854	0:SP3_SP3_SP3	C[5]	B[5,6a]	N[6]	3:4:4:1:	4:2:2:2:	4:4:4:1:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5]-4:C[6]-4:C[6]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	N[6](C[5]B[5,6a]C[5,6a]H)(C[6]C[6]HH)2(H){2|C<3>,4|H<1>,4|O<2>}	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1	112.1590	0.000	1
474	679	951	0:SP3_SP-NON_SP3	C[5]	B[5,6a]	H	3:4:4:1:	4:2:2:2:	4:	C[5,6a]-3:B[5,6a]-4:N[6]-4:H-1:	C[5]-4:O[5]-2:O[6a]-2:O[6a]-2:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H)	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2	H(C[5]B[5,6a]C[5,6a]N[6])	C[5](C[5,6a]C[5,6a]C[6a])(B[5,6a]O[6a]2O[5])(N[6]C[6]2H)(H){2|B<3>,2|C<3>,2|C<4>,5|H<1>}	B[5,6a](C[5]C[5,6a]N[6]H)(O[5]C[5,6a])(O[6a]B[6a])2{1|H<1>,2|C<3>,2|C<4>,3|O<2>}	H(C[5]B[5,6a]C[5,6a]N[6])	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1
474	682	818	0:SP3_SP-NON_SP2	C[5]	Ga[3]	C[5]	3:3:3:4:	4:4:4:	4:3:4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	104.0355	0.298	2	104.0355	0.089	2	104.0355	0.089	2	104.0355	0.089	2	104.0355	0.089	2	104.0355	0.089	2
474	690	818	0:SP3_SP-NON_SP2	C[5]	Ga	C[5]	3:3:2:1:	4:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-4:Ga-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaGa)(H)	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]GaH)(C[5]C[5]C)(CC3){1|C<4>,1|H<1>}	72.0268	0.000	1	72.0268	0.000	1	72.6197	0.703	2	72.6197	0.703	2	93.9936	221.571	10	93.9936	221.571	10
474	690	818	0:SP3_SP-NON_SP2	C[5]	Ga	C[5]	3:3:2:1:	4:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-4:Ga-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaGa)(H)	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	Ga(C[5]C[5]2H)(GaI3)	C[5](C[5]C[5]GaH)(C[5]C[5]H)(CC3){2|C<4>}	73.2126	0.000	1	73.2126	0.000	1	72.6197	0.703	2	72.6197	0.703	2	93.9936	221.571	10	93.9936	221.571	10
474	690	818	0:SP3_SP-NON_SP2	C[5]	Ga	C[5]	3:3:2:4:	4:4:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:C[5]-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5])(CH3)	Ga(C[5]C[5]2C)2	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	Ga(C[5]C[5]2C)2	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	99.3371	11.028	8	99.3371	121.617	8	99.3371	121.617	8	99.3371	121.617	8	93.9936	221.571	10	93.9936	221.571	10
474	690	951	0:SP3_SP-NON_SP-NON	C[5]	Ga	H	3:3:2:1:	4:4:	4:	C[5]-3:C[5]-3:Ga-2:H-1:	C[5]-4:Ga-4:	C[5]-4:	C[5](C[5]C[5]C)2(GaGa)(H)	Ga(C[5]C[5]2H)(GaI3)	H(C[5]C[5]2Ga)	C[5](C[5]C[5]C)2(GaGa)(H){1|C<4>,1|H<1>}	Ga(C[5]C[5]2H)(GaI3)	H(C[5]C[5]2Ga)	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1	121.7730	0.000	1
474	714	951	0:SP3_SP-NON_SPD5	C[5]	S[4,5,5]	H	5:4:4:1:	6:5:4:1:1:	4:	S[4,5,5]-5:C[5]-4:C[5]-4:H-1:	C[3x3,4,5,5]-6:C[4x4,5,5]-5:C[5]-4:O-1:O-1:	C[5]-4:	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H)	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2	H(C[5]S[4,5,5]C[5]2)	C[5](S[4,5,5]C[3x3,4,5,5]C[4x4,5,5]OO)(C[5]N[4,5]C[5]H)(C[5]C[4,5]CH)(H){1|C<3>,1|C<6>,1|C<7>,1|O<2>,2|C<4>,4|H<1>,4|H<2>}	S[4,5,5](C[3x3,4,5,5]C[3x3,3x4,5,5]C[3,3x4,4x5]H[3]2H)(C[4x4,5,5]C[3x3,3x4,5,5]H[4,4,5]2H)(C[5]C[5]2H)(O)2{1|C<6>,1|N<3>,4|C<4>,4|H<1>}	H(C[5]S[4,5,5]C[5]2)	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1	106.1930	0.000	1
474	722	818	5:SP3_SP2_SPD5	C[5]	Si[4,5]	C[5]	5:3:3:1:	4:4:3:3:3:	4:3:1:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H)	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	C[5](C[5]Si[4,5]C[6a]H)(C[5]C[5]H)(H){1|H<1>,3|C<3>,3|N<3>}	103.9270	0.195	2	103.9270	0.038	2	103.9270	0.038	2	103.9270	0.038	2	103.9270	0.038	2	103.9270	0.038	2
474	722	951	0:SP3_SP-NON_SPD5	C[5]	Si[4,5]	H	5:3:3:1:	4:4:3:3:3:	4:	Si[4,5]-5:C[6a]-3:C[5]-3:H-1:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	C[5]-4:	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	H(C[5]Si[4,5]C[6a]C[5])	C[5](Si[4,5]C[5]N[4]2N)(C[6a]C[6a]2)(C[5]C[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	H(C[5]Si[4,5]C[6a]C[5])	106.0385	1.893	2	106.0385	3.583	2	106.0385	3.583	2	106.0385	3.583	2	106.0385	3.583	2	106.0385	3.583	2
474	727	727	0:SP3_SP2_SP2	C[3x5,6]	C[5,6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[3x5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[3x5,6]-4:C[5,6a]-3:C[6a]-3:	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6,6a](C[3x5,6]N[5,5,6]C[5,6a]C[5,5])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[3x5,6]C[5,6,6a]N[5,5,6]C[5,5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|C<3>,3|C<4>,3|H<1>}	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[3x5]-4:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[5,6a,6a]-3:C[3x5]-4:C[6a]-3:	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])3(C[3x5]C[5,6a]3){3|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[3x5]C[5,6a]2C[3x5])(C[6a]C[6a]H){1|H<1>,9|C<3>}	114.6918	1.354	6	114.6918	1.833	6	114.6918	1.833	6	114.6918	1.833	6	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6x5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(C[6x5]C[3x5]3)	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])3(C[6x5]C[3x5]3){12|C<3>,3|H<1>}	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[3x5]C[5,6a]2C[6x5])(C[5,6a]C[3x5]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,7|C<3>}	114.6675	0.610	24	114.6675	0.372	24	114.6675	0.372	24	114.6675	0.372	24	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	3:3:3:5:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:P[3x5]-5:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(P[3x5]O[5]3H)	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])3(P[3x5]O[5]3H){3|H<1>,6|C<3>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[5,6a](C[3x5]C[5,6a]2P[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	114.0282	0.192	6	114.0282	0.037	6	114.0282	0.037	6	114.2460	0.238	9	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	3:3:3:5:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:Si[3x5]-5:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O)	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[3x5](C[5,6a]C[5,6a]C[6a])3(Si[3x5]O[5]3O){3|H<1>,6|C<3>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	C[5,6a](C[3x5]C[5,6a]2Si[3x5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<3>,2|O<2>,5|C<3>}	114.6817	0.656	3	114.6817	0.431	3	114.6817	0.431	3	114.2460	0.238	9	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5,5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[3x5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)2{2|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[3x5]C[5,6a]C[5,5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.9410	0.000	1	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[3x5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[3,3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5]-4:C[5,6a]-3:C[6a]-3:	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[3x5](C[3,3x5]C[3,5]2C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]O[5]CH){1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[3x5]C[3,3x5]C[5,6a]C[5])(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1	103.3790	0.000	1	114.3099	3.587	41	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,5a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,5a]-3:C[5,6,6]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,5a]C[5a,6a]C[5,5a])(C[5,6,6]C[5,6,6a]2H){10|C<3>,1|N<3>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,5a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	C[5,5a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|C<4>,1|S<4>,4|H<1>,7|C<3>}	110.1125	1.453	2	110.1125	2.112	2	110.1125	2.112	2	110.1125	2.112	2	110.1125	2.112	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	111.9930	0.000	1	111.9930	0.000	1	111.9930	0.000	1	111.4755	0.536	2	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|O<1>,7|C<3>}	110.9580	0.000	1	110.9580	0.000	1	110.9580	0.000	1	111.4755	0.536	2	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:C[5,6]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6]C[6,6]){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5a,6,6a]C[5,6]){2|C<4>,9|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,8|C<3>}	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	114.0010	0.000	1	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6]C[5,6a])(C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,2|C<4>,9|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	113.0320	3.110	3	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){11|C<3>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	113.0320	3.110	3	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){10|C<3>,1|C<4>,1|H<1>}	C[5,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,9|C<3>}	111.0270	0.000	1	111.0270	0.000	1	111.0270	0.000	1	113.0320	3.110	3	112.6747	2.355	6	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:O[6]-2:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6])	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5]2O[6])(O[6]C[5,5,6]){3|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]O[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	114.0495	0.841	2	114.0495	0.707	2	114.0495	0.707	2	114.0495	0.707	2	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{10|H<1>,1|C<4>,4|C<3>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){3|C<4>,4|C<3>,5|H<1>}	113.7500	0.000	1	113.7500	0.000	1	117.4129	9.658	8	117.4129	9.658	8	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,3|C<3>,3|C<4>,5|H<1>}	115.4600	0.000	1	117.9361	8.712	7	117.4129	9.658	8	117.4129	9.658	8	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5]C[6]H)2{1|C<4>,2|O<2>,4|C<3>,8|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){3|C<3>,3|C<4>,6|H<1>}	118.3488	3.004	6	117.9361	8.712	7	117.4129	9.658	8	117.4129	9.658	8	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H)	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6,6]C[3x6]N[5,6]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6,6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5,6]C[5,5,6,6]C[5,6a]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	112.8835	0.258	2	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5,6](C[5,5,6]C[6,6]N[5]O[5])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	112.8835	0.258	2	116.0974	10.133	12	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<2>,8|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	113.6500	0.000	1	112.6435	2.026	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2)	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[3x5]C[5,5]C[5]2)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|N<3>,6|C<3>,7|H<1>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a]){1|O<2>,1|S<4>,2|C<4>,2|H<1>,6|C<3>}	C[5,5a](C[5,5]C[5,5a]C[3x5]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5]){1|S<4>,2|C<4>,3|H<1>,6|C<3>}	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	111.6370	0.000	1	112.6435	2.026	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:3:	3:3:4:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5])	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5]){1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5])	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I){1|N<3>,3|H<1>,6|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5,5a]N[5a]C[5]){1|C<4>,1|I<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	113.7790	0.797	4	113.7790	0.636	4	113.7790	0.636	4	113.9178	0.573	5	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5])	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]S[5a]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	113.9178	0.573	5	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<2>,8|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	113.7815	0.377	2	113.7815	0.142	2	113.7815	0.142	2	113.7815	0.142	2	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	113.3210	0.000	2	113.3210	0.000	2	113.3210	0.000	2	113.3210	0.000	2	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5,5]-4:C[5,5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5])	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,7|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,5a]N[5a]C[5]){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	114.8126	5.834	11	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5]){1|N<3>,1|O<1>,7|C<3>}	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	119.9520	0.000	1	117.1174	4.272	7	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3{1|S<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S){8|C<3>}	117.6210	2.797	2	117.6210	7.825	2	117.6210	7.825	2	117.4165	3.038	4	117.1174	4.272	7	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5,5]C[5,6a]2C[5])(N[5a]C[5a,6a]C){1|H<1>,7|C<3>}	117.2120	1.059	2	117.2120	1.122	2	117.2120	1.122	2	117.4165	3.038	4	117.1174	4.272	7	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|S<4>,3|H<1>,4|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C){2|N<3>,3|C<3>,4|H<1>}	115.1020	0.000	2	115.1020	0.000	2	115.1020	0.000	2	115.1020	0.000	2	117.1174	4.272	7	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	119.6450	0.000	1	119.6450	0.000	1	121.4204	3.409	5	121.4204	3.409	5	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{1|C<4>,2|P<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	123.8440	0.000	1	121.8642	3.231	4	121.4204	3.409	5	121.4204	3.409	5	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|C<4>,2|H<1>,2|P<3>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]P){2|C<4>,3|C<3>,3|H<1>}	121.2043	1.495	3	121.8642	3.231	4	121.4204	3.409	5	121.4204	3.409	5	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:3:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(O[5]C[5,6a])(N[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5]O[5])(C[6a]C[6a]O){2|H<1>,6|C<3>}	119.9615	2.249	2	119.9615	5.059	2	119.9615	5.059	2	119.9615	5.059	2	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]N[5]){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.3890	0.000	1	119.3890	0.000	1	119.3890	0.000	1	116.1773	9.667	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)(O[5]C[5]){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.1820	0.000	1	113.1820	0.000	1	114.5715	3.861	2	116.1773	9.667	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(O[5]C[5]){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	115.9610	0.000	1	115.9610	0.000	1	114.5715	3.861	2	116.1773	9.667	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3){11|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	116.6838	3.478	8	116.6838	12.096	8	116.6838	12.096	8	117.2834	11.137	10	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3){11|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	119.6820	1.086	2	119.6820	1.180	2	119.6820	1.180	2	117.2834	11.137	10	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5]){2|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.1494	1.242	7	110.1494	1.543	7	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	113.2343	2.991	4	113.2343	8.945	4	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,1|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.8327	2.399	12	114.8327	5.753	12	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C){1|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	116.0700	2.404	2	116.0700	5.780	2	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	111.1055	0.969	2	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	112.4262	1.312	12	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	113.9612	2.316	9	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	113.6921	1.906	8	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.4735	1.310	2	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	113.0333	3.218	4	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	114.3925	1.211	4	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	113.7424	1.417	28	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	113.6445	2.143	8	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	113.5718	1.835	8	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	113.2419	1.685	9	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.4324	1.817	36	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.9306	2.245	48	113.5792	3.687	178	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	114.0245	2.607	2	114.0245	6.797	2	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	113.6250	1.625	2	113.8248	2.433	6	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.9248	1.770	4	113.8248	2.433	6	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	106.8910	4.016	2	106.8910	16.131	2	113.5023	4.697	213	113.5023	4.697	213	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	111.7345	0.551	2	111.7345	0.303	2	112.6726	4.690	9	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	110.5150	0.000	1	110.5150	0.000	1	112.6726	4.690	9	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.3386	2.650	5	113.3386	7.023	5	112.6726	4.690	9	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.3760	0.000	1	113.3760	0.000	1	112.6726	4.690	9	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	113.3500	0.127	2	114.9681	7.268	8	114.9681	7.268	8	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	115.1755	4.144	2	114.9681	7.268	8	114.9681	7.268	8	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	118.1870	0.601	2	114.9681	7.268	8	114.9681	7.268	8	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|H<1>,6|C<3>}	113.1600	0.860	2	114.9681	7.268	8	114.9681	7.268	8	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(C[5]O[5]O){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5]){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	114.7725	0.052	2	114.7725	0.003	2	114.7725	0.003	2	113.8602	6.255	19	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]N[6a]N[5])(C[6a]C[6a,6a]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	112.4790	0.000	1	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<4>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|S<4>,2|H<1>,6|C<3>}	117.0590	0.000	1	117.0590	0.000	1	117.0590	0.000	1	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<2>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3{1|S<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	110.7770	0.495	2	110.7770	0.245	2	110.7770	0.245	2	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,5|C<3>}	111.1400	0.000	1	111.4125	0.149	2	111.4125	0.149	2	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.6850	0.000	1	111.4125	0.149	2	111.4125	0.149	2	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	127.6601	0.599	7	127.7417	0.908	13	127.7417	0.908	13	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	127.8368	1.315	6	127.7417	0.908	13	127.7417	0.908	13	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	113.5640	1.295	2	114.4212	10.192	6	114.4212	10.192	6	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	113.4160	0.000	1	114.4212	10.192	6	114.4212	10.192	6	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	115.4780	0.000	1	114.4212	10.192	6	114.4212	10.192	6	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){5|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	115.2525	6.656	2	114.4212	10.192	6	114.4212	10.192	6	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	111.9485	3.021	2	111.9485	9.129	2	111.9485	9.129	2	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	117.3240	0.000	1	117.1898	0.236	4	115.8716	8.865	5	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	117.4820	0.059	2	117.1898	0.236	4	115.8716	8.865	5	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(C[5]N[5]O){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	116.4710	0.000	1	117.1898	0.236	4	115.8716	8.865	5	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(C[5]N[5]S){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|S<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<1>,3|H<1>,5|C<3>}	110.5990	0.000	1	110.5990	0.000	1	115.8716	8.865	5	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|H<1>,5|C<3>}	112.9020	0.000	1	112.9020	0.000	1	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,1|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|I<1>,3|H<1>,5|C<3>}	113.7380	0.140	2	113.7380	0.020	2	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,1|I<1>,2|H<1>,2|O<1>,4|C<3>}	114.0350	0.000	1	114.0350	0.000	1	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	112.6460	0.000	1	112.6460	0.000	1	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	113.4010	0.000	1	112.1420	3.170	2	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	110.8830	0.000	1	112.1420	3.170	2	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	113.9410	0.000	1	113.9410	0.000	1	113.1605	1.091	8	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.3400	0.000	1	118.3400	0.000	1	118.3400	0.000	1	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]C[5])(N[5]S[5]H){2|H<1>,3|O<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5]2)(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,3|H<1>,5|C<3>}	112.3590	0.000	1	112.3590	0.000	1	112.3590	0.000	1	118.1766	47.240	42	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH)	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5])(C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Br){3|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	113.6942	0.801	4	113.6942	0.642	4	113.6942	0.642	4	113.6942	0.642	4	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,6a,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){4|C<3>,5|H<1>}	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.4030	2.343	2	104.0313	3.930	3	103.6100	3.330	4	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(H){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.2880	0.000	1	104.0313	3.930	3	103.6100	3.330	4	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2P)(H){1|P<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|P<3>,3|C<3>}	102.3460	0.000	1	102.3460	0.000	1	103.6100	3.330	4	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	106.8167	0.352	3	106.8167	0.124	3	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){1|O<1>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){1|H<1>,1|O<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	116.2455	0.534	2	116.2455	0.285	2	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	116.7185	0.310	2	118.3932	40.712	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	118.9515	7.449	6	118.3932	40.712	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	113.9890	0.000	1	115.3023	18.775	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.2020	0.824	2	115.3023	18.775	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.5490	0.000	1	115.3023	18.775	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	116.1190	6.410	4	115.3023	18.775	8	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C){2|C<4>,3|H<1>,4|C<3>}	119.1293	9.642	3	119.1293	92.972	3	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(H){3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	113.1949	0.770	20	113.1949	0.592	20	114.6316	23.752	44	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(O){2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4x5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4x5]C[5,5]3)(H){1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4x5]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	118.0060	0.433	2	118.0060	0.187	2	118.0060	0.187	2	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,6]2Ru)(H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,6]2Ru)(H){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|Ru<11>,2|C<4>,2|H<1>,3|C<3>}	136.5460	2.158	2	136.5460	4.657	2	136.5460	4.657	2	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2H)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	114.8640	0.000	1	114.8640	0.000	1	113.9920	2.081	3	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]N[5]H)(H){1|S<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,5|H<1>}	112.3270	0.000	1	112.3270	0.000	1	113.9920	2.081	3	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2H)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,1|P<4>,3|C<3>}	114.7850	0.000	1	114.7850	0.000	1	113.9920	2.081	3	114.5908	46.502	56	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(OC){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.0130	0.000	1	112.0130	0.000	1	112.8775	1.495	2	114.2453	6.360	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]N[5,5]N[5]2)(OH){2|H<1>,2|S<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]O)(C[5,6a]N[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,4|C<3>}	113.7420	0.000	1	113.7420	0.000	1	112.8775	1.495	2	114.2453	6.360	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)(N[5]C[5]){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){4|C<3>,4|H<1>}	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	114.2453	6.360	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHO){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	103.0610	0.000	1	103.0610	0.000	1	103.0610	0.000	1	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:N-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(NOO){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]N)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.5510	0.000	1	105.5510	0.000	1	105.5510	0.000	1	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(C[6a]C[6a]2){10|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[6a])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,7|C<3>}	111.3628	1.314	12	111.3628	1.728	12	111.3628	1.728	12	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiCC){2|Si<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<3>,1|C<4>,3|H<1>,4|C<3>}	112.5410	2.426	3	112.5410	5.887	3	112.5410	5.887	3	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	113.0530	0.000	1	112.9950	0.007	2	112.9950	0.007	2	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(COO){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	112.9370	0.000	1	112.9950	0.007	2	112.9950	0.007	2	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.8360	0.000	1	113.5670	5.993	2	113.6490	3.017	3	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	115.2980	0.000	1	113.5670	5.993	2	113.6490	3.017	3	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]HO)(C[5]N[5]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	113.8130	0.000	1	113.8130	0.000	1	113.6490	3.017	3	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]CH)(N[5]S[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	111.9645	0.103	2	111.9645	0.011	2	113.0521	2.994	7	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]C[5]S){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|H<1>,5|C<3>}	111.1360	0.000	1	111.1360	0.000	1	113.0521	2.994	7	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(N[5]S[5]H){1|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,3|C<3>,5|H<1>}	115.7540	0.000	1	115.7540	0.000	1	113.0521	2.994	7	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|H<1>,2|O<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|O<1>,4|H<1>,5|C<3>}	114.3275	0.120	2	114.3275	0.014	2	113.0521	2.994	7	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]S[5]H){2|O<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<4>,5|C<3>,5|H<1>}	111.8910	0.000	1	111.8910	0.000	1	113.0521	2.994	7	111.7548	7.078	29	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	102.1460	0.000	1	102.1460	0.000	1	102.3095	0.053	2	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3,5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3,5,5]C[3,5]2C)(CHHO){3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]C)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.4730	0.000	1	102.4730	0.000	1	102.3095	0.053	2	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CC3){1|O<2>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	108.8730	0.000	1	108.8730	0.000	1	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|Br<1>,3|C<4>,4|C<3>}	113.0877	7.118	3	113.0877	50.666	3	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	109.8910	1.892	4	110.3718	2.429	12	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.6045	1.824	4	110.3718	2.429	12	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CCHH){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.6197	1.240	4	110.3718	2.429	12	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[5,6,6a]H){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	109.8020	0.000	1	109.8020	0.000	1	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	112.0050	0.513	2	112.0050	0.264	2	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,1|N<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.5005	2.092	2	110.8483	3.210	4	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a,6a]H){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	111.1960	2.184	2	110.8483	3.210	4	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|Br<1>,1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	114.5015	1.479	2	114.5015	2.186	2	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.2140	0.000	1	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	108.9590	0.000	1	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	111.3209	1.743	7	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	110.8678	1.810	6	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	111.3237	1.950	3	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	110.7981	1.583	9	110.9178	2.630	27	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<4>,4|C<3>}	111.6290	0.000	1	111.6290	0.000	1	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	112.7177	2.472	3	112.5127	2.136	8	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	112.3898	0.794	5	112.5127	2.136	8	111.2347	4.823	61	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]2C)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	112.3055	1.243	4	112.3055	1.546	4	112.3353	4.498	8	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CC[6]HH){2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	116.2460	0.000	1	116.2460	0.000	1	112.3353	4.498	8	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]N[5]O[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	112.2380	0.000	1	112.2380	0.000	1	112.3353	4.498	8	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]O[5]2C)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|O<2>,1|P<4>,2|C<4>,3|C<3>}	110.4880	2.172	2	110.4880	4.719	2	112.3353	4.498	8	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	117.7660	0.000	1	117.7660	0.000	1	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	123.6970	0.000	1	123.6505	0.004	2	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,3|C<3>,8|H<1>}	123.6040	0.000	1	123.6505	0.004	2	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<4>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|N<2>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	118.7127	0.766	3	118.7127	0.587	3	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	114.3555	1.097	8	114.3555	1.204	8	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Br<1>,1|C<4>,3|C<3>,7|H<1>}	118.1940	0.000	1	121.7747	5.784	6	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	122.9523	0.393	3	121.7747	5.784	6	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,4|C<3>,7|H<1>}	124.2100	0.000	1	121.7747	5.784	6	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|O<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){1|C<4>,3|C<3>,8|H<1>}	119.3870	0.000	1	121.7747	5.784	6	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]O[5]HH)2{2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]O[5])(C[6a]C[6a]O){1|O<2>,3|C<3>,6|H<1>}	113.2620	0.000	1	113.2620	0.000	1	118.0933	15.899	21	112.7019	17.557	92	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[3,5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[3,5,5]C[3,5]2C[6a])(C[5,6a]C[5,6a]C[6a])2(H){3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[3,5,5]C[5,6a]H)(C[5,6a]C[3,5]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	102.6230	0.000	1	102.6230	0.000	1	102.6230	0.000	1	109.6607	37.647	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[3x5,6]C[5,5]C[5,6]2)(C[5,6a]C[5,6a]C[6a])2(H){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[3x5,6]C[5,6a]H)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	113.1795	1.001	2	113.1795	1.001	2	113.1795	1.001	2	109.6607	37.647	3	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:2:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[5,6a]-3:O-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5,6,6]C[5,3x6]C[5,6,6]C[5])(C[5,6a]C[5,6a]C[6a])2(OH){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6,6]C[5,6a]O)(C[5,6a]C[5,6,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	115.4780	0.000	1	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(COO){1|Br<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	113.9816	19.131	486	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5a]	3:3:3:4:	4:3:3:	4:2:2:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5a]-2:O[5a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]N[5,5]C[5a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5a](C[5,5]C[5,6a]N[5,5]C[5])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){2|C<4>,2|H<1>,5|C<3>}	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.3280	0.000	1	112.7380	0.336	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HO){1|N<3>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	112.7380	0.336	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-3:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]H){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){2|N<3>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	114.1730	0.000	1	111.6010	4.539	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,5]N[5,6]N[5]H)(C[5]C[5,6]HH){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	108.9830	0.000	1	111.6010	4.539	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,5]	C[5a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5a]-3:C[5]-4:	C[5,5]-4:C[5a,6a]-3:C[5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO)	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,5](C[5,5]N[5,6,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,3x6]HO){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[5a](C[5,5]C[5,6a]C[5,5]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,5]C[5a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	111.6240	0.383	2	111.6240	0.147	2	111.6240	0.147	2	111.6240	0.147	2	111.6010	4.539	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:H-1:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H)	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]H)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6a]N[5,6]H)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	116.7025	0.412	2	116.7025	0.170	2	116.7025	0.170	2	116.7025	0.170	2	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:O-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH)	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(OH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6a]N[5,6]O)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	118.2130	0.000	1	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	115.7780	0.000	1	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,2|N<2>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	113.3950	0.000	1	113.3950	0.000	1	113.3950	0.000	1	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|F<1>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.9610	0.000	1	114.3591	0.739	7	114.3591	0.739	7	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|I<1>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.8390	0.000	1	114.3591	0.739	7	114.3591	0.739	7	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	115.2000	0.120	2	114.3591	0.739	7	114.3591	0.739	7	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.2860	0.000	1	114.3591	0.739	7	114.3591	0.739	7	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|N<2>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|N<3>,1|O<1>,4|C<3>}	114.5140	1.172	2	114.3591	0.739	7	114.3591	0.739	7	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,5|C<3>}	112.4925	0.612	2	112.4925	0.374	2	112.6587	0.270	3	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	112.9910	0.000	1	112.9910	0.000	1	112.6587	0.270	3	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	116.4930	0.000	1	117.7680	2.343	4	117.7680	2.343	4	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]S){1|N<3>,1|O<1>,6|C<3>}	118.1930	1.559	3	117.7680	2.343	4	117.7680	2.343	4	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[6]-3:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]N[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a,6](C[5,6]C[5,6a]C[5]N[6])(N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	113.9380	0.000	1	113.9380	0.000	1	113.9380	0.000	1	114.6330	4.575	17	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:N[5,6]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3)	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(CH3){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6](C[5,6]C[5,6a]N[5,6]C)(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,5|C<3>}	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[5,6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	113.0930	0.000	1	113.0930	0.000	1	113.0950	0.000	2	113.0950	0.000	2	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a,6]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	113.0970	0.000	1	113.0970	0.000	1	113.0950	0.000	2	113.0950	0.000	2	114.8853	4.319	24	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a]	3:3:2:2:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a]-3:O[5,6]-2:O[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a]-3:N[5a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a])	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5a](C[5,6]C[5,6a]O[5,6]O[6])(C[5a]C[5a]C)(N[5a]O[5a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5,6]C[5,6])(O[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6]O[5,6]C[5a]O[6])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[5a](C[5,6]C[5,6a]O[5,6]O[6])(C[5a]C[5a]C)(N[5a]O[5a]){2|C<4>,3|C<3>}	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	114.3287	11.673	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	111.8210	0.000	1	111.8210	0.000	1	111.8210	0.000	1	111.9325	0.025	2	114.3287	11.673	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[6,6a]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,6]C[6,6a]N[5,6]C[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5a](C[5,6]C[5,6a]C[6,6a]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|H<1>,7|C<3>}	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	111.9325	0.025	2	114.3287	11.673	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5]H)(C[6]N[6]HH){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,2|N<3>,4|C<3>,5|H<1>}	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	114.2730	0.000	1	114.3287	11.673	4	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a]){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	105.2895	1.438	2	105.2895	2.067	2	105.2895	2.067	2	104.4843	1.655	4	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	103.2880	0.000	1	103.6790	0.306	2	103.6790	0.306	2	104.4843	1.655	4	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:O[5,6]-2:C[6a]-3:	C[5,6]-4:C[5a,6,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a])	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6]C[5a])(C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5a,6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6,6]C[5a,6]C[6,6])(C[5a]C[6a]O[5a]){1|H<1>,3|C<4>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]O[5,6]C[6a])(C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	104.0700	0.000	1	103.6790	0.306	2	103.6790	0.306	2	104.4843	1.655	4	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a])	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]2C[6])(C[5a]C[6a]N[5a]){1|C<4>,1|I<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	111.5910	0.576	2	111.5910	0.331	2	111.5910	0.331	2	112.4253	2.254	3	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6]-4:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a])	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6a]C[6,6a]C[5])(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,8|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	112.4253	2.254	3	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5a,6](C[5,6]C[5,6a]2C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	111.9470	0.000	1	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5]-3:C[6]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5]N[5]O)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]N[5a]O[6])(C[5a]N[5a]C){1|C<2>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,1|O<1>,3|H<1>,4|C<3>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	112.0127	2.351	6	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]N[5a]N[6])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	111.9280	0.040	2	111.9280	0.002	2	111.6803	0.185	3	112.0127	2.351	6	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C)	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[5]N[5]O){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6]O[5a]N[6])(C[5a]N[5a]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	111.1850	0.000	1	111.1850	0.000	1	111.6803	0.185	3	112.0127	2.351	6	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6,6a]-3:C[5]-3:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a])	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|N<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6a]C[5])(C[5a,6]O[5a]N[6])(C[5a]C[6a]N[5a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.2040	0.000	1	114.2040	0.000	1	114.2040	0.000	1	112.0127	2.351	6	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C)(C[5]N[5]O){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|N<3>,1|O<1>,1|S<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,5|C<3>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	112.0127	2.351	6	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:3:	4:3:2:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:O[5a]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a])	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5a,6]C[5,6]C[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(C[5]N[5]O){3|C<4>,3|H<1>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	117.1740	0.000	1	117.1740	0.000	1	115.7030	1.908	3	113.2331	5.032	8	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[5]N[5]O){2|C<4>,4|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	114.9675	0.754	2	114.9675	0.569	2	115.7030	1.908	3	113.2331	5.032	8	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[6]-4:C[5]-3:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(C[5]N[5]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	111.8618	0.792	4	111.8618	0.627	4	111.8618	0.627	4	113.2331	5.032	8	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[6]-4:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)(C[5]N[5]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5a,6](C[5,6]C[5,6a]C[5]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6]){1|C<4>,1|N<3>,1|O<1>,1|S<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	113.2331	5.032	8	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C[5a,6]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3)	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H)	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]C[5a])(C[5,6]C[5a,6]N[5]H)(CH3){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]C[5a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6]C[5a,6]C[5,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a,6]	C[5,6a]	3:4:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[6,6]-4:C[5,6a]-3:C[5]-3:	C[5,6]-4:C[5a,6a]-3:C[5a,6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]C[6,6]C[5])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5a,6]C[6,6]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	116.4655	1.549	2	116.4655	2.400	2	116.4655	2.400	2	116.4655	2.400	2	111.6797	13.569	26	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5,6]-3:C[6]-4:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH)	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5,6]C[6]N[5])(C[6]N[6]HH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5a](C[5,6]C[5,6a]C[5,6]C[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6]C[5,6]C[5a]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	111.4180	0.000	1	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5,6]	C[5a]	C[5a,6]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5a,6]-3:C[5a]-3:N[5,6]-3:	C[5,6]-4:C[5a,6a]-3:C[5a]-3:	C[5,6]-4:C[5a,6]-3:N[5a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6]){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5a](C[5,6]C[5,6a]C[5a,6]N[5,6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5a,6](C[5,6]C[5,6a]N[5,6]C[5a])(C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<4>,2|H<1>,7|C<3>}	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	115.2040	0.000	1	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:3:4:1:	3:3:4:	4:3:3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5a]C[5a]N[5a])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]N[5a]C[5])(C[5]C[5a]C[5]H){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,5|C<3>}	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	115.1560	0.000	1	115.3975	0.117	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,5a]	C[5a]	3:4:3:1:	3:4:3:	4:3:3:	C[5,5a]-3:C[5]-4:C[5a]-3:H-1:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H)	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5,5]C[6a]H)(C[5a]C[5a]N[5a])(H){1|C<4>,2|H<1>,8|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5]C[5,5a]C[5]H)(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	115.6390	0.000	1	115.3975	0.117	2	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:2:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(O[5]C[5])(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|P<4>,5|C<3>}	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	115.6960	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:2:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|O<1>,1|S<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,3|C<3>}	115.8820	0.000	1	115.8820	0.000	1	115.8660	0.001	2	115.8660	0.001	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:2:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:O[5]-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(O[5]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]O[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]N[5a]C)(C[5a]N[5a]N){4|C<3>}	115.8500	0.000	1	115.8500	0.000	1	115.8660	0.001	2	115.8660	0.001	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6]C[5a])(C[5]N[5]O)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a]){2|C<4>,2|N<3>,2|O<1>,4|C<3>}	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	116.1657	2.878	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){3|H<1>,5|C<3>}	116.5110	0.000	1	116.5110	0.000	1	115.4170	2.394	2	116.1657	2.878	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[5a]N[5a]H){2|H<1>,6|C<3>}	114.3230	0.000	1	114.3230	0.000	1	115.4170	2.394	2	116.1657	2.878	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[5]N[5]O)(H){1|Cl<1>,1|C<4>,1|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]F){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]Cl)(O[5a]C[5a,6a]){1|N<3>,1|O<1>,4|C<3>}	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	117.0258	18.177	4	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H)	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]C[6a]O[5])(H){8|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]C){1|S<2>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)(S[5a]C[5a,6a]){1|O<2>,5|C<3>}	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	117.0258	18.177	4	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]N[5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	117.0258	18.177	4	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:2:	C[5,6a]-3:N[5]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5a]N[5a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]N[5]H)(N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){6|C<3>}	113.7260	0.000	1	113.7260	0.000	1	113.7260	0.000	1	117.0258	18.177	4	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	116.4930	0.000	1	115.8935	0.719	2	115.8935	0.719	2	115.8935	0.719	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|F<1>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	115.2940	0.000	1	115.8935	0.719	2	115.8935	0.719	2	115.8935	0.719	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5,6a]2O)(N[5a]C[5a]){1|H<1>,7|C<3>}	111.7255	1.664	2	111.7255	2.768	2	111.7255	2.768	2	111.7255	2.768	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	115.1365	0.269	2	115.1365	0.073	2	115.1365	0.073	2	115.1365	0.073	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(OH){2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.8495	0.031	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl)	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]O)(C[6a]C[6a]Cl){2|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5]C[5,6a]N[5]O)(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	111.8495	0.031	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.5130	0.000	1	113.5130	0.000	1	113.5130	0.000	1	111.9640	4.799	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(OH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.4150	0.000	1	110.4150	0.000	1	110.4150	0.000	1	111.9640	4.799	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]C[5]H)(CNO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){3|H<1>,5|C<3>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5a]C[5a]O[5a])(C[5]N[5]O){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5]2)(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	110.3930	2.097	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]2)(C[5]N[5]O)(NC[6a]H){2|C<3>,2|N<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	110.5450	0.000	1	110.5450	0.000	1	110.5450	0.000	1	110.3930	2.097	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]N[5]C)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	108.8750	0.000	1	108.8750	0.000	1	108.8750	0.000	1	110.3930	2.097	3	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	111.0861	0.780	8	111.0861	0.609	8	111.0861	0.609	8	111.2009	2.394	19	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Co<5>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	110.8175	0.283	4	110.8175	0.080	4	110.4740	2.295	8	111.2009	2.394	19	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Pd<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	110.1305	2.227	4	110.1305	4.961	4	110.4740	2.295	8	111.2009	2.394	19	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(NCH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[5]C[5,6a]C[5]N)(C[5a]C[6a]N[5a])(C[5a]O[5a]N){1|N<3>,1|O<1>,4|C<3>}	114.1880	0.000	2	114.1880	0.000	2	114.1880	0.000	2	111.2009	2.394	19	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	111.2009	2.394	19	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:O[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]C)(O[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	107.8590	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:4:	3:4:3:	4:3:2:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(S[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.4060	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HN)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,3|H<1>,5|C<3>}	111.7130	0.486	2	111.7130	0.237	2	111.7130	0.237	2	111.7130	0.237	2	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5,6a]	C[5a]	3:4:3:1:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5a]-3:H-1:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H)	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O[5])(C[5a]C[5a]S[5a])(H){1|O<2>,1|S<4>,4|H<1>,5|C<3>}	C[5,6a](C[5]C[5,5]C[5a]H)(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5a](C[5]C[5,6a]C[5,5]H)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	112.6856	7.975	49	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(H){1|N<3>,3|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]H)(C[5a]N[5a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]H)(N[5a]C[5a,6a]H){2|H<1>,6|C<3>}	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	116.9600	0.000	1	114.5954	6.601	5	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){1|C<4>,2|H<1>,5|C<3>}	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	114.5954	6.601	5	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	113.5020	0.000	1	113.5510	0.005	2	114.8693	5.216	3	114.8693	5.216	3	114.5954	6.601	5	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]C){2|C<4>,2|H<1>,4|C<3>}	113.6000	0.000	1	113.5510	0.005	2	114.8693	5.216	3	114.8693	5.216	3	114.5954	6.601	5	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5a]-3:C[5]-4:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S)	C[5](C[5,5a]C[5,5a]N[5a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|S<4>,2|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,5a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(C[5]C[5a]C[5]C)(N[5a]C[5a,6a]S){2|C<4>,2|H<1>,4|C<3>}	117.5060	0.000	1	117.5060	0.000	1	114.8693	5.216	3	114.8693	5.216	3	114.5954	6.601	5	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2H)(C[5a]N[5a]H){1|H<1>,1|S<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.9520	0.806	2	114.9520	0.650	2	114.9520	0.650	2	115.7952	4.495	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5]C[5,6a]C[5]H)(C[5a]C[6a]O[5a]){1|N<3>,1|O<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	119.0290	0.000	1	119.0290	0.000	1	116.2960	14.939	2	115.7952	4.495	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(H){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	113.5630	0.000	1	113.5630	0.000	1	116.2960	14.939	2	115.7952	4.495	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a]N[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]C[5a,6a]C){1|N<3>,1|O<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	115.7952	4.495	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H)	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5]C[5,6a]C[5]H)(C[5a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|H<1>,3|C<3>}	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	115.7650	0.000	1	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(CC)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(CC){1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(C[5]C[5,6a]2C){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.2080	1.229	2	112.2080	1.510	2	112.2080	1.510	2	112.2080	1.510	2	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a]){1|O<1>,6|C<3>}	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.3640	0.000	1	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]2O)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	116.1360	0.000	1	116.1360	0.000	1	116.1360	0.000	1	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.4100	0.000	1	112.1017	2.819	3	112.5443	2.663	4	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.0160	0.000	1	112.1017	2.819	3	112.5443	2.663	4	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	110.8790	0.000	1	112.1017	2.819	3	112.5443	2.663	4	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(OH){1|O<2>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[5a]O[5a]H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	113.8720	0.000	1	113.8720	0.000	1	112.5443	2.663	4	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:S-2:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(SC[6a]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]S)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]S)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.7580	0.000	1	115.7580	0.000	1	115.7580	0.000	1	113.6785	4.700	6	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:2:	4:3:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:O-2:	C[5]-4:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH)	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]2)(C[5]N[5]O)(OH){1|N<3>,3|C<3>,4|H<1>}	C[5a](C[5]C[5,6a]C[5]O)(C[5a]C[5a]H)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]O)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	113.3620	0.000	1	113.3620	0.000	1	113.3620	0.000	1	113.3620	0.000	1	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:N-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(NCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]N)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.2180	0.120	2	112.2180	0.014	2	112.2180	0.014	2	112.0487	1.639	9	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.1210	0.000	1	113.1210	0.000	1	112.1854	3.049	5	112.0487	1.639	9	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	111.4990	2.619	2	111.4990	6.860	2	112.1854	3.049	5	112.0487	1.639	9	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O){2|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]2C[5])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	112.4040	1.850	2	112.4040	3.422	2	112.1854	3.049	5	112.0487	1.639	9	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[5]S[5]H)(COO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[5a]N[5a]H){1|S<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[5]C[5a]N[5]C)(C[6a]C[6a]H){2|O<1>,3|C<3>,3|H<1>}	111.5375	0.479	2	111.5375	0.229	2	111.5375	0.229	2	112.0487	1.639	9	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(C[6]C[6]2){1|O<1>,2|H<1>,2|N<3>,3|C<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.7820	1.035	2	111.7820	1.072	2	111.7820	1.072	2	111.7648	1.012	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5])(C[6a]C[6a]2){1|N<3>,5|H<1>,8|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|H<1>,1|S<4>,8|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	111.7648	1.012	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]Br){1|H<1>,1|N<3>,1|O<1>,1|S<4>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	111.2310	0.000	1	111.2310	0.000	1	112.1890	1.836	2	111.7648	1.012	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(C[5]N[5]O){1|C<4>,1|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5]C[5a]C[6a]C[5])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	113.1470	0.000	1	113.1470	0.000	1	112.1890	1.836	2	111.7648	1.012	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	110.4430	0.000	1	110.4430	0.000	1	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	111.8035	0.334	2	111.8035	0.112	2	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	110.7660	0.000	1	110.7660	0.000	1	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.4790	0.000	1	114.4790	0.000	1	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.7920	0.000	1	113.7920	0.000	1	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	111.9580	0.115	2	111.9580	0.013	2	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	113.5720	0.280	2	113.5720	0.078	2	112.4147	1.868	10	112.4147	1.868	10	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:H-1:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5a]C[5]H)(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	114.3410	0.725	2	114.3410	0.526	2	114.3410	0.526	2	114.3410	0.526	2	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]2)(C[5a]N[5a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5a]C[5]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	111.9200	0.000	1	112.4714	1.067	5	112.4714	1.067	5	112.4714	1.067	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){1|C<4>,2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	111.9975	0.880	2	112.4714	1.067	5	112.4714	1.067	5	112.4714	1.067	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|F<1>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	112.3220	0.000	1	112.4714	1.067	5	112.4714	1.067	5	112.4714	1.067	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[6]-4:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H)	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]S[6]H)(C[5]N[5]O){2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]C[6])(C[5a]N[5a]H){1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[5]C[5a]C[5]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,4|C<3>,4|H<1>}	114.1200	0.000	1	112.4714	1.067	5	112.4714	1.067	5	112.4714	1.067	5	112.9597	3.346	48	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:2:2:	4:2:2:	4:2:2:	C[5a]-3:C[5a]-3:N[5]-2:S[5]-2:	C[5]-4:N[5a]-2:S[5a]-2:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a])(S[5]C[5,6a])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a])(S[5]C[5,6a]){6|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,1|S<2>,4|C<3>}	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	110.1580	0.000	1	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:2:	4:2:2:	4:2:2:	C[5a]-3:C[5a]-3:N[5]-3:S[5]-2:	C[5]-4:N[5a]-2:S[5a]-2:	C[5]-4:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	C[5](C[5a]N[5a]S[5a])2(N[5]C[5,6a]H)(S[5]C[5,6a]){6|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5a](C[5]C[5a]N[5]S[5])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]N){1|C<4>,2|N<3>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,6|C<3>}	112.8180	0.000	1	112.8180	0.000	1	112.5545	0.139	2	114.8397	2.797	9	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])2(C[5]N[5]O){2|N<3>,4|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	112.2910	0.000	1	112.2910	0.000	1	112.5545	0.139	2	114.8397	2.797	9	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H)	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)2{1|N<3>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]2)(C[5a]N[5a]H){1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5]C[5a]C[5]2)(N[5a]C[5a,6a]H){2|O<1>,8|C<3>}	116.2532	0.587	4	116.2532	0.345	4	116.2532	0.345	4	114.8397	2.797	9	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]C){2|C<4>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]C){1|O<1>,2|H<1>,7|C<3>}	115.5840	0.000	1	115.5840	0.000	1	114.4783	1.187	3	114.8397	2.797	9	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5a]-3:C[5a]-3:C[5]-3:N[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])2(C[5]C[5,6a]O)(N[5]C[5,6a]H){2|H<1>,2|N<3>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5a]C[5]N[5])(C[5a]N[5a]H){1|O<1>,3|H<1>,6|C<3>}	113.9255	0.735	2	113.9255	0.540	2	114.4783	1.187	3	114.8397	2.797	9	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5a]-3:C[5]-3:	C[5a,6a]-3:C[5]-4:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|N<3>,2|C<4>,3|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5a]C[5])(C[5a]N[5a]H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[5a](C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,1|O<1>,6|C<3>}	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	111.8640	0.000	1	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{6|H<1>,8|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	111.0135	2.149	2	111.0135	4.618	2	111.0135	4.618	2	112.2528	4.476	4	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Co<5>,4|H<1>,8|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Co)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	112.3370	0.000	1	112.3370	0.000	1	113.4920	2.668	2	112.2528	4.476	4	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5]-4:N[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Pd<4>,4|H<1>,8|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	C[5a](C[5]C[5,6a]2C[5a])(N[5a]C[5a]Pd)(C[5a]C[5a]H){1|H<1>,1|N<3>,6|C<3>}	114.6470	0.000	1	114.6470	0.000	1	113.4920	2.668	2	112.2528	4.476	4	113.1684	6.257	17	113.8335	15.134	751
474	727	727	0:SP3_SP2_SP2	C[5]	C[5a]	C[5a]	3:3:4:3:	4:3:3:	4:3:2:	C[5a]-3:C[5a]-3:C[5]-4:C[5]-3:	C[5]-4:C[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S)	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(C[5a]S[5a]S){1|C<4>,1|O<1>,1|S<2>,2|C<3>,3|H<1>}	C[5a](C[5]C[5a]C[5]2)(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	109.8510	0.000	1	113.1684	6.257	17	113.8335	15.134	751
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){2|C<2>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<2>,8|C<3>}	100.3040	0.000	1	100.3040	0.000	1	100.3040	0.000	1	99.6365	0.891	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6]){10|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>}	98.9691	0.000	1	98.9691	0.000	1	98.9691	0.000	1	99.6365	0.891	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-2:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]){1|C<2>,2|S<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<2>,1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<2>,1|C<4>,8|C<3>}	99.5655	0.000	1	99.5655	0.000	1	99.5655	0.000	1	99.5655	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>}	99.3614	0.000	1	99.3614	0.000	1	99.3614	0.000	1	99.3614	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6,6a])(N[6]C[6]C){10|C<3>,1|O<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6]){10|C<3>,1|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>}	98.5448	0.000	1	98.5448	0.000	1	98.5448	0.000	1	98.5448	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	99.3347	0.000	1	99.3347	0.000	1	99.3347	0.000	1	99.2135	0.029	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-3:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6]C[5a,6]H){1|N<3>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,1|N<2>,9|C<3>}	99.0924	0.000	1	99.0924	0.000	1	99.0924	0.000	1	99.2135	0.029	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6]2C[6])(C[6,6a]C[6,6a]C[6a]){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){12|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){12|C<3>}	99.4014	0.000	1	99.4014	0.000	1	99.4014	0.000	1	99.0658	0.225	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6,6a]-3:	C[5,3x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2N[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|N<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|N<3>}	98.7302	0.000	1	98.7302	0.000	1	98.7302	0.000	1	99.0658	0.225	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,6a,6a]-3:C[5,3x6]-4:C[5,6,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,2|H<1>,9|C<3>}	99.6543	0.487	2	99.6543	0.237	2	99.6543	0.237	2	99.6877	0.122	3	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	99.7543	0.000	1	99.7543	0.000	1	99.7543	0.000	1	99.6877	0.122	3	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,3x6]-4:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6,6a]HH){10|C<3>,2|H<1>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	99.2211	0.000	1	99.2211	0.000	1	99.2211	0.000	1	99.2211	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,2|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,2|F<1>,8|C<3>}	99.1039	0.000	1	99.1039	0.000	1	99.2668	0.053	2	99.2668	0.053	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(C[6]C[6]FF){1|C<4>,4|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,2|F<1>,8|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){2|C<4>,2|F<1>,8|C<3>}	99.4296	0.000	1	99.4296	0.000	1	99.2668	0.053	2	99.2668	0.053	2	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	3:3:4:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,3x6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6])	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,3x6]C[5,6,6a]C[5,3x6]C[6]){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	100.0980	0.000	1	100.0980	0.000	1	100.0980	0.000	1	100.0980	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,3x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[6]-4:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,3x6](C[5,3x6]C[5,6,6a]C[5,6,6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6]C[6,6a]HH){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,3x6]C[5,6,6a]C[5,3x6]C[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,2|H<1>,9|C<3>}	99.4144	0.000	1	99.4144	0.000	1	99.4144	0.000	1	99.4144	0.000	1	99.3902	0.213	17	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<4>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<4>,2|C<4>,8|C<3>}	100.1140	0.000	1	100.1140	0.000	1	100.1140	0.000	1	100.3120	0.078	2	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2){2|C<4>,5|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<4>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<4>,2|C<4>,8|C<3>}	100.5100	0.000	1	100.5100	0.000	1	100.5100	0.000	1	100.3120	0.078	2	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	100.2450	0.389	2	100.2450	0.151	2	100.2450	0.151	2	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>,1|H<1>}	99.5632	0.000	1	99.5632	0.000	1	99.5632	0.000	1	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>,1|H<1>}	100.2960	0.000	1	100.2960	0.000	1	100.2960	0.000	1	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|H<1>}	100.1184	0.317	3	100.1184	0.100	3	100.1184	0.100	3	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	100.7690	0.000	1	100.7690	0.000	1	100.7690	0.000	1	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:N[3x6]-4:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2N[3x6])(N[3x6]C[6,6]2H){2|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]N[3x6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|H<1>,1|N<3>,2|C<4>,8|C<3>}	101.5910	0.000	1	101.5910	0.000	1	101.5910	0.000	1	100.3405	0.359	9	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:4:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,4x6]-4:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6,6a]-3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	99.8039	0.000	1	99.8039	0.000	1	99.8039	0.000	1	99.8039	0.000	1	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6,6a]2)2	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6,6a]2)2{1|H<1>,3|C<4>,8|C<3>}	99.9101	0.226	2	99.9101	0.051	2	100.0894	0.122	3	100.0894	0.122	3	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)	C[5,4x6](C[5,4x6]C[5,6,6a]2C[3x6])(C[5,6,6a]C[5,6,6a]2)2(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2){1|H<1>,2|C<4>,9|C<3>}	100.4480	0.000	1	100.4480	0.000	1	100.0894	0.122	3	100.0894	0.122	3	100.2507	0.254	15	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,3x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]2C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]O[5,5]H){10|C<3>,1|H<1>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,1|O<2>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,1|O<2>,9|C<3>}	100.7210	0.368	2	100.7210	0.135	2	100.7210	0.135	2	100.4746	0.167	4	100.4746	0.167	4	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,3x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	99.9816	0.000	1	99.9816	0.000	1	100.2283	0.122	2	100.4746	0.167	4	100.4746	0.167	4	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,3x6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,3x6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,3x6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,3x6](C[5,5,3x6]C[5,6,6a]C[5,5,6]C[5,6,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]C[5,5]H){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|H<1>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,5,3x6]C[5,5,3x6]C[5,6,6a]C[5,5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,9|C<3>}	100.4750	0.000	1	100.4750	0.000	1	100.2283	0.122	2	100.4746	0.167	4	100.4746	0.167	4	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<3>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,9|C<3>}	100.1740	0.000	1	100.1740	0.000	1	100.1740	0.000	1	101.2097	0.493	4	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,9|C<3>}	101.6890	0.000	1	101.6890	0.000	1	101.6890	0.000	1	101.2097	0.493	4	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]N[5]){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,9|C<3>}	101.3810	0.000	1	101.3810	0.000	1	101.3810	0.000	1	101.2097	0.493	4	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:O[5]-2:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(O[5]C[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]O[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>}	101.5950	0.000	1	101.5950	0.000	1	101.5950	0.000	1	101.2097	0.493	4	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	100.6460	0.000	1	100.6460	0.000	1	100.6460	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){1|N<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,1|O<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<2>,1|O<2>,9|C<3>}	100.5830	0.000	1	100.5830	0.000	1	100.5830	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5,6a])(C[5]C[5,6a]O){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|O<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|O<1>}	100.1870	0.000	1	100.1870	0.000	1	100.1870	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]C[6a]N[5]){11|C<3>,1|Ir<8>,1|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	100.7490	0.000	1	100.7490	0.000	1	100.7490	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[6a]N[5]){10|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<2>,1|O<2>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<2>,1|O<2>,9|C<3>}	100.6250	0.000	1	100.6250	0.000	1	100.6250	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2O[5])(C[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|O<2>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|O<2>}	100.2620	0.000	1	100.2620	0.000	1	100.2620	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:N[5]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2N[5])(N[5]C[5]C){9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|N<2>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|N<2>}	99.6828	0.000	1	99.6828	0.000	1	99.6828	0.000	1	100.3907	0.141	7	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	100.3690	0.000	1	100.3690	0.000	1	100.3690	0.000	1	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CC){1|Ir<8>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){10|C<3>,1|C<4>,1|N<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>,1|N<3>}	99.7839	0.000	1	99.7839	0.000	1	99.7839	0.000	1	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]CH){1|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|H<1>,1|N<3>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|H<1>,1|N<3>,9|C<3>}	100.0630	0.000	1	100.0630	0.000	1	100.3667	0.078	6	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){1|C<4>,1|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<3>,2|H<1>,8|C<3>}	100.5850	0.000	1	100.4274	0.070	5	100.3667	0.078	6	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,5,6,6]C[5,6,6a]2C[5])(C[5]N[5]HH){2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|C<4>,1|N<4>,2|H<1>,8|C<3>}	100.3880	0.288	4	100.4274	0.070	5	100.3667	0.078	6	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:C[5]-4:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2Si[5])(C[5]C[6a]C[5]H){12|C<3>,2|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,1|C<4>,1|H<1>,9|C<3>}	99.5969	0.000	1	99.5969	0.000	1	99.5969	0.000	1	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6,6]-4:Si[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6,6]C[5,6,6a]2C[5])(Si[5]C[6a]2C[5]){13|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,2|C<4>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]Si[5])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|C<4>}	99.2444	0.000	1	99.2444	0.000	1	99.2444	0.000	1	100.1194	0.219	10	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6a]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){11|C<3>}	100.7660	0.000	1	100.7660	0.000	1	100.7660	0.000	1	100.7660	0.000	1	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|Re<7>,1|H<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Re<7>,1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	100.5520	0.000	1	100.5520	0.000	1	100.5520	0.000	1	100.5677	0.013	3	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5]N[5]HH){1|H<1>,1|W<7>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,1|W<7>,2|C<4>,2|H<1>,7|C<3>}	100.4640	0.000	1	100.4640	0.000	1	100.4640	0.000	1	100.5677	0.013	3	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C[5]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5a,6,6a]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5]N[5]HH){1|Re<6>,1|H<1>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Re<6>,1|N<3>,2|H<1>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a]){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	100.6870	0.000	1	100.6870	0.000	1	100.6870	0.000	1	100.5677	0.013	3	100.4495	0.329	25	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,5,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[5,5,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,5,6](C[5,5,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(Cl){1|Cl<1>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,5,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,5,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[6,6,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,1|C<4>,6|C<3>}	99.3854	0.000	1	99.3854	0.000	1	99.3854	0.000	1	99.3854	0.000	1	99.3854	0.000	1	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5,6]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,5,6]CC){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,6|C<4>}	C[5,6a](C[5,5,6]C[5,5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>,7|C<4>}	99.9835	0.000	1	99.9835	0.000	1	99.9835	0.000	1	99.9835	0.000	1	99.9835	0.000	1	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5])	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5,6a]C[6a]N[5]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	99.9591	0.041	2	99.9591	0.002	2	99.9591	0.002	2	99.9591	0.002	2	99.9591	0.002	2	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5a]	3:3:2:2:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:O[5]-2:O[5]-2:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2{2|C<3>,2|S<2>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|C<3>,2|C<4>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>}	101.9110	0.000	1	101.7628	0.158	4	101.7628	0.158	4	101.7628	0.158	4	100.2896	5.304	6	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5a]	3:3:2:2:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:O[5]-2:O[5]-2:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5a]-3:C[5,5]-4:C[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H)	C[5,5](C[5,5a]C[5,5a]C[5a])2(O[5]C[5])2{2|C<3>,2|S<2>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,5]C[5,5a]O[5]2)(C[5a]C[5a]H){1|S<2>,2|C<3>,2|C<4>}	101.7133	0.472	3	101.7628	0.158	4	101.7628	0.158	4	101.7628	0.158	4	100.2896	5.304	6	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,5a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,5a]-3:N[5a]-3:	C[5,5]-4:C[5,5a]-3:C[5a]-3:	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C)	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C)	C[5,5](C[5,5a]C[5,5a]C[5a])(C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH){1|H<1>,1|N<3>,1|S<4>,7|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5a,6a]C[5,5a])(N[5a]C[5a,6a]C){1|N<3>,2|H<1>,6|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,5a]C[5,5a]C[5a])(C[5a]N[5a]C){2|N<3>,3|C<3>,4|H<1>}	97.3432	0.000	2	97.3432	0.000	2	97.3432	0.000	2	97.3432	0.000	2	100.2896	5.304	6	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,5a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5a,6a]-3:C[5,5a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])2(C[5,6a]C[5,6a]C[6a])2{2|H<1>,2|S<2>,8|C<3>}	C[5,5a](C[5,5]C[5,5a]C[5,6a]2)(C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a]){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]2C[5,6a])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	100.3780	0.065	2	100.3780	0.004	2	100.3780	0.004	2	100.3780	0.004	2	100.3780	0.004	2	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){1|N<3>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	99.0348	0.885	14	99.0692	0.459	26	99.0692	0.459	26	99.0692	0.459	26	99.1174	0.465	28	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2)	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6a]C[5,6a]2)(C[6a]C[6a]2){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,5,6a](C[5,5]C[5,6a]2C[6a])(C[5,6a]C[5,6a]C[6a])2{2|H<1>,7|C<3>}	99.1092	0.336	12	99.0692	0.459	26	99.0692	0.459	26	99.0692	0.459	26	99.1174	0.465	28	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[5,6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6a]N[5]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]N[5]C)(C[5,6a]C[6a]C[5]){4|C<3>,4|H<1>}	99.7441	0.485	2	99.7441	0.235	2	99.7441	0.235	2	99.7441	0.235	2	99.1174	0.465	28	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5,5]-4:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5])	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]O[5a])(C[5,5]C[5,6a]2C[5]){1|N<3>,1|O<1>,7|C<3>}	100.7810	0.020	2	100.7810	0.000	2	100.7810	0.000	2	100.7810	0.000	2	100.0695	1.519	3	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,5a]	3:3:3:3:	4:3:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5a]-3:C[5,5]-4:N[5a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3{1|S<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,6a])(C[5,5]C[5,6a]3)(N[5a]C[5a,6a]S){8|C<3>}	98.6465	0.000	1	98.6465	0.000	1	98.6465	0.000	1	98.6465	0.000	1	100.0695	1.519	3	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	102.6095	0.159	2	102.6095	0.025	2	102.6095	0.025	2	102.6095	0.025	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:2:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[5]-2:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(O[5]C[5])2{2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]O[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])(N[5]C[5]){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	101.6760	0.000	1	101.6760	0.000	1	101.6760	0.000	1	101.6760	0.000	1	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5,5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3){11|C<3>,1|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.4785	0.275	4	101.4785	0.076	4	101.4785	0.076	4	101.3060	0.220	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[6a,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]2)(C[5,5]C[5,6a]3){11|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.4680	0.000	1	101.4680	0.000	1	101.4680	0.000	1	101.3060	0.220	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[6a,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5])	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]){10|C<3>,2|H<1>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5]){2|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.4540	0.000	1	100.4540	0.000	1	100.4540	0.000	1	101.3060	0.220	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6a]C[5,6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	101.2305	0.199	4	101.2305	0.039	4	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[5a,6a]H){1|H<1>,1|N<2>,7|C<3>}	102.0625	0.112	2	102.0625	0.013	2	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	111.7180	0.000	1	111.7180	0.000	1	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6,6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	107.5245	9.091	2	107.5245	82.651	2	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]2){10|C<3>,1|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.4247	0.152	6	101.4247	0.023	6	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]C){1|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.6180	0.000	1	101.6180	0.000	1	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{1|C<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2120	0.000	1	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	101.1140	0.000	1	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2480	0.000	1	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.3190	0.130	6	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	101.2902	0.300	6	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.3720	0.413	2	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|C<4>,1|H<1>,7|C<3>}	101.2400	0.107	2	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	101.2322	0.362	16	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2290	0.187	2	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	101.4817	1.505	4	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	103.5235	4.994	11	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2766	0.741	20	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	103.5990	5.195	29	102.1903	11.530	101	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])4	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])4{2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	100.7190	0.339	2	100.7190	0.115	2	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])3{3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]3)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2240	0.000	1	101.2240	0.000	1	102.2488	11.732	120	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){3|H<1>,6|C<3>}	101.1150	0.000	1	101.1150	0.000	1	101.3035	0.045	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.5340	0.000	1	101.5340	0.000	1	101.3035	0.045	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2825	0.214	2	101.2825	0.046	2	101.3035	0.045	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	103.2160	0.000	1	102.3825	0.759	4	102.3825	0.759	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	101.1570	0.000	1	102.3825	0.759	4	102.3825	0.759	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	102.6180	0.000	1	102.3825	0.759	4	102.3825	0.759	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2N[5])(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	102.5390	0.000	1	102.3825	0.759	4	102.3825	0.759	4	102.2234	11.040	128	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5]-3:C[5,5]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5,5])2(C[5,6a]C[5,6a]C[6a])2{2|C<4>,2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]2)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])3{1|S<4>,3|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	101.6230	0.000	1	101.6230	0.000	1	101.6230	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	101.5090	0.000	1	101.5090	0.000	1	101.5850	0.032	3	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,5a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5a]C[5,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	101.6230	0.236	2	101.6230	0.056	2	101.5850	0.032	3	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[4,5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[4,5]C[4,5]C[4])(C[5]C[5]O){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[4,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	102.1350	0.000	1	102.1350	0.000	1	102.1350	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6]C[6])2{2|N<3>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.7600	0.000	1	101.7600	0.000	1	101.7600	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	99.2400	0.000	1	100.1260	1.043	3	100.1260	1.043	3	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.2430	0.000	1	100.1260	1.043	3	100.1260	1.043	3	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6])	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5,6]C[5,6]C[6]){5|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]2C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	99.8949	0.000	1	100.1260	1.043	3	100.1260	1.043	3	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]2N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	101.9810	0.000	1	101.9810	0.000	1	101.9810	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)2{2|C<4>,2|O<2>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]N[5])(C[6a]C[6a]O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	124.8790	0.000	1	124.8790	0.000	1	124.8790	0.000	1	104.3613	57.676	12	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(C[5]C[5]HH){1|Br<1>,2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	101.3005	0.261	2	101.3005	0.068	2	101.3005	0.068	2	101.3005	0.068	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|N<2>,3|C<3>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){3|C<4>,6|C<3>}	100.5400	0.000	1	100.5400	0.000	1	100.5400	0.000	1	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<3>,2|N<2>,3|H<1>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,4|C<3>,4|C<4>}	101.2440	0.000	1	101.2015	0.004	2	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	101.1590	0.000	1	101.2015	0.004	2	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,3|C<4>,5|C<3>}	100.6990	0.000	1	100.6990	0.000	1	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	100.8880	0.027	2	100.6570	0.160	3	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	100.1950	0.000	1	100.6570	0.160	3	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	101.0370	0.000	1	101.0130	0.001	2	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	100.9890	0.000	1	101.0130	0.001	2	100.8874	0.107	8	100.8488	0.107	9	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5]C[6a]N[5])(C[5]C[5]ClC){1|C<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,5|C<3>}	101.9860	0.192	2	101.9860	0.037	2	101.9860	0.037	2	102.1007	0.058	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	102.3300	0.000	1	102.3300	0.000	1	102.3300	0.000	1	102.1007	0.058	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,6a]2S[5])(S[5]C[5]){4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	101.7160	0.307	2	101.7160	0.094	2	101.7160	0.094	2	101.8317	0.126	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)(O[5]C[5]){1|C<4>,1|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	101.6410	0.000	1	101.6410	0.000	1	101.6410	0.000	1	101.8317	0.126	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O[5]-2:	C[5,5]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5]){5|C<3>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	101.4570	0.000	1	101.4570	0.000	1	101.4570	0.000	1	101.8317	0.126	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:S[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]N[5]H)(S[5]C[5]){2|H<1>,9|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	102.1450	0.000	1	102.1450	0.000	1	102.1450	0.000	1	101.8317	0.126	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:O[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a])	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[5,6a]CC)(O[5]C[5,6a]){2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]Si[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,3|C<4>,5|C<3>}	102.3150	0.000	1	102.3150	0.000	1	102.3150	0.000	1	101.8317	0.126	6	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|O<1>,4|H<1>,5|C<3>}	101.8340	0.000	1	101.8340	0.000	1	101.6730	0.052	2	101.6730	0.052	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)(C[5]C[6a]N[5]){1|O<1>,2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,7|C<3>}	101.5120	0.000	1	101.5120	0.000	1	101.6730	0.052	2	101.6730	0.052	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	100.3475	0.097	2	100.3475	0.009	2	100.3475	0.009	2	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	101.3350	0.000	1	100.8807	0.170	3	100.8813	0.093	6	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	100.6535	0.172	2	100.8807	0.170	3	100.8813	0.093	6	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	100.8120	0.000	1	100.8120	0.000	1	100.8813	0.093	6	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>,2|N<2>,3|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|N<3>,3|C<4>,5|C<3>}	100.6730	0.000	1	100.6730	0.000	1	100.8813	0.093	6	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<2>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,2|H<1>,5|C<3>}	101.1610	0.000	1	101.1610	0.000	1	100.8813	0.093	6	100.7479	0.129	8	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5,6]-4:N[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5])	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5,6]C[5,5,6]2H)(N[5]C[6a]N[5]){1|C<2>,3|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	101.9960	0.000	1	101.9960	0.000	1	101.9960	0.000	1	102.1670	0.058	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	102.3380	0.000	1	102.3380	0.000	1	102.3380	0.000	1	102.1670	0.058	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	100.5350	0.000	1	101.0523	0.206	3	101.0523	0.206	3	101.0523	0.206	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	101.3830	0.000	1	101.0523	0.206	3	101.0523	0.206	3	101.0523	0.206	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,5|H<1>}	101.2390	0.000	1	101.0523	0.206	3	101.0523	0.206	3	101.0523	0.206	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:C-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2C)(CH3){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[3x5]-4:Si-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[3x5]C[5,5]2H)(SiC3){2|Si<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]Si)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|H<1>,4|C<3>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5]2N[5])(C[5]C[6a]C[5]H){1|C<4>,2|O<1>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	101.7560	0.000	1	101.7560	0.000	1	101.7560	0.000	1	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	112.7790	0.000	1	112.7790	0.000	1	116.4414	10.784	5	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|Br<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]Br){1|Br<1>,1|O<2>,3|C<3>,3|C<4>,4|H<1>}	117.3995	0.016	2	117.3995	0.000	2	116.4414	10.784	5	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{4|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]C[5]){1|C<4>,1|N<2>,1|O<2>,3|C<3>,8|H<1>}	120.9450	0.000	1	120.9450	0.000	1	116.4414	10.784	5	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]HH)2{2|H<1>,4|C<3>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5]2)(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	113.6840	0.000	1	113.6840	0.000	1	116.4414	10.784	5	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Ge[5]-4:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(Ge[5]C[6a]2C[5])(C[5]C[6a]N[5]H){11|C<3>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]Ge[5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	102.5440	0.000	2	102.5440	0.000	2	102.5440	0.000	2	111.4150	47.467	10	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:2:	4:3:3:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5]-2:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5]C[5]){1|N<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){2|C<4>,6|C<3>}	101.0910	0.143	2	101.0910	0.020	2	101.0910	0.020	2	101.0910	0.020	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:2:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>,4|C<4>}	C[5,6a](C[5,5]C[5,6a]C[3,5]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){4|C<4>,5|C<3>}	101.0330	0.000	1	101.0330	0.000	1	101.0330	0.000	1	100.2221	0.515	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	99.9644	0.000	1	99.8166	0.044	2	99.8166	0.044	2	100.2221	0.515	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:2:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>,3|C<4>,3|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,6]N[5,5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|H<1>,3|C<4>,5|C<3>}	99.6688	0.000	1	99.8166	0.044	2	99.8166	0.044	2	100.2221	0.515	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[3x5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[3x5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[3x5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|C<4>,2|H<1>,5|C<3>}	100.6650	0.000	1	100.6650	0.000	1	100.6650	0.000	1	100.9165	0.127	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:3:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6]C[6,6a]N[5,6]C)(C[5,6a]C[5,6a]C[6a])2(C[5]C[5]C){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,2|N<3>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,7|C<3>}	101.1680	0.000	1	101.1680	0.000	1	101.1680	0.000	1	100.9165	0.127	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	100.7290	0.000	1	100.7290	0.000	1	100.8440	0.026	2	101.1693	0.331	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]CH){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	100.9590	0.000	1	100.9590	0.000	1	100.8440	0.026	2	101.1693	0.331	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:2:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:N[5,6a]-3:N[6a]-2:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a])	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6a]C[5,6a]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,7|C<3>}	101.8200	0.000	1	101.8200	0.000	1	101.8200	0.000	1	101.1693	0.331	3	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	100.9150	0.000	1	100.9150	0.000	1	100.9150	0.000	1	101.3845	0.441	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,5]	C[5,6a]	C[5,6a]	4:3:3:4:	4:3:3:	4:3:3:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,5](C[5,6]N[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])2(C[5]C[6a]C[5]C){10|C<3>,1|O<1>,2|H<1>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	101.8540	0.000	1	101.8540	0.000	1	101.8540	0.000	1	101.3845	0.441	2	102.6172	18.189	207	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Br-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Br){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Br<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	103.2970	0.317	2	103.2970	0.100	2	103.2970	0.100	2	102.3560	1.215	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,7|C<3>}	101.4150	0.042	2	101.4150	0.002	2	101.4150	0.002	2	102.3560	1.215	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	102.2950	0.000	1	104.2035	7.285	2	104.2035	7.285	2	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	106.1120	0.000	1	104.2035	7.285	2	104.2035	7.285	2	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	102.1520	0.000	1	102.1520	0.000	1	101.3805	1.190	2	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	100.6090	0.000	1	100.6090	0.000	1	101.3805	1.190	2	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	100.5620	0.307	2	100.5620	0.094	2	100.9235	0.206	4	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	101.2850	0.041	2	101.2850	0.002	2	100.9235	0.206	4	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	101.6480	0.000	1	101.6480	0.000	1	101.6480	0.000	1	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	101.7495	0.083	2	101.7495	0.007	2	101.7495	0.007	2	101.8190	2.410	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	102.5255	0.074	2	102.5255	0.006	2	102.5255	0.006	2	102.5255	0.006	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(Cl){1|Cl<1>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,2|C<4>,6|C<3>}	100.3510	0.000	1	100.3510	0.000	1	100.3510	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Cl-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])2(C[5,6,6]C[5,5,6]2)(Cl){1|Cl<1>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	99.9253	0.000	1	99.9253	0.000	1	99.9253	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(H){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,2|C<4>,6|C<3>}	100.2810	0.000	1	100.2810	0.000	1	100.2810	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]2)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[6,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	101.1050	0.000	1	101.1050	0.000	1	101.1050	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:Cl-1:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,8|C<3>}	101.8620	0.000	1	101.8620	0.000	1	101.8620	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5a,6,6]-3:Br-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br)	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(N[5a,6,6]C[5a,6,6]2)(Br){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]N[5a,6,6]Br)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	101.9120	0.000	1	101.9120	0.000	1	101.9120	0.000	1	100.9060	0.725	6	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(OH){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	100.5490	0.000	1	100.5490	0.000	1	100.6078	0.171	4	100.6078	0.171	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|Br<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	100.5210	0.665	2	100.5210	0.442	2	100.6078	0.171	4	100.6078	0.171	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OO){1|O<2>,4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	100.8400	0.000	1	100.8400	0.000	1	100.6078	0.171	4	100.6078	0.171	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	100.5257	0.370	3	100.5257	0.137	3	100.5257	0.137	3	100.5257	0.137	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.1580	0.000	1	102.1555	1.990	2	102.1555	1.990	2	102.1555	1.990	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]C[5,6])(OO){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	103.1530	0.000	1	102.1555	1.990	2	102.1555	1.990	2	102.1555	1.990	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[3x6]C[3x6]C[6,6])(OO){1|N<4>,1|O<2>,3|C<4>,4|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6,6]C[5,6,6a]C[3x6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	101.7160	0.000	1	101.7160	0.000	1	101.7160	0.000	1	101.2280	1.135	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:O-2:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(OC){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	100.0060	0.000	1	100.0060	0.000	1	100.0060	0.000	1	101.2280	1.135	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:O-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(OO){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Cl<1>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]O)(C[5,6a,6a]C[5,6a,6a]C[3x6a]){8|C<3>}	101.9620	0.000	1	101.9620	0.000	1	101.9620	0.000	1	101.2280	1.135	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO){1|N<3>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	101.9170	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:2:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Br<1>,1|N<3>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,1|O<2>,7|C<3>}	101.6290	0.000	1	101.6290	0.000	1	101.6290	0.000	1	101.6290	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){1|Au<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	99.6410	0.334	2	99.6410	0.112	2	99.6410	0.112	2	99.6410	0.112	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a]){1|C<4>,1|O<2>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,9|C<3>}	99.5812	0.000	1	99.5812	0.000	1	100.2968	0.437	7	100.3060	0.346	9	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,3x6]C[5,6,6])(C[6a]C[6a]2){2|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){10|C<3>,1|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,3x6])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,1|C<4>}	99.6206	0.049	2	99.6206	0.002	2	100.2968	0.437	7	100.3060	0.346	9	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(C[6a]C[6a]2){2|H<1>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){11|C<3>}	100.8137	0.202	4	100.8137	0.041	4	100.2968	0.437	7	100.3060	0.346	9	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6])(N[6]C[6]2){1|O<2>,4|C<4>,4|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,3|C<4>,7|C<3>}	100.0700	0.000	1	100.0700	0.000	1	100.3385	0.144	2	100.3060	0.346	9	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,8|C<3>}	100.6070	0.000	1	100.6070	0.000	1	100.3385	0.144	2	100.3060	0.346	9	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:N[6]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(N[6]C[6]2){4|H<1>,5|C<3>,5|C<4>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]N[6])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,9|C<3>}	100.3150	0.000	1	100.3150	0.000	1	100.3150	0.000	1	100.3150	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	99.5718	0.000	1	99.5718	0.000	1	99.7272	0.048	2	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	99.8827	0.000	1	99.8827	0.000	1	99.7272	0.048	2	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	100.0310	0.000	1	100.0310	0.000	1	100.0310	0.000	1	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	99.8272	0.000	1	99.8272	0.000	1	99.8272	0.000	1	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	100.5290	0.000	1	100.5290	0.000	1	100.5290	0.000	1	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[6,6a,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	101.0740	0.000	1	101.0740	0.000	1	101.0740	0.000	1	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	99.0469	0.000	1	99.0469	0.000	1	99.0469	0.000	1	99.9947	0.428	7	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	100.7110	0.000	1	100.8560	0.042	2	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.0010	0.000	1	100.8560	0.042	2	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	99.3175	0.000	1	99.3175	0.000	1	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	101.0770	0.000	1	101.0770	0.000	1	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.0820	0.000	1	101.0820	0.000	1	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.2030	0.000	1	101.2030	0.000	1	100.7319	0.507	6	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[6,6,6a]C[3x6]){1|C<4>,7|C<3>}	100.8220	0.000	1	100.8220	0.000	1	100.8220	0.000	1	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Si<4>,8|C<3>}	99.7678	0.000	1	99.7678	0.000	1	99.7678	0.000	1	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[6,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	101.2190	0.000	1	101.2190	0.000	1	101.2190	0.000	1	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.2070	0.000	1	100.2070	0.000	1	100.2070	0.000	1	100.6407	0.434	10	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.0460	0.174	2	101.0460	0.030	2	100.7133	0.347	3	100.6233	0.436	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.0480	0.000	1	100.0480	0.000	1	100.7133	0.347	3	100.6233	0.436	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.1920	0.000	1	101.1920	0.000	1	101.1920	0.000	1	100.6233	0.436	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	99.7847	0.000	1	99.7847	0.000	1	99.7847	0.000	1	100.6233	0.436	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[6,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	101.2640	0.000	1	101.2640	0.000	1	101.2640	0.000	1	101.1090	0.076	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C){8|C<3>}	101.0315	0.342	2	101.0315	0.117	2	101.0315	0.117	2	101.1090	0.076	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	101.0000	0.000	1	101.0000	0.000	1	101.0000	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.1495	0.414	2	100.9164	0.116	7	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.8635	0.006	2	100.9164	0.116	7	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.0230	0.000	1	100.9164	0.116	7	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.3020	0.000	1	100.9164	0.116	7	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.0640	0.000	1	100.9164	0.116	7	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.0697	1.184	2	100.5139	0.837	4	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.9580	0.566	2	100.5139	0.837	4	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.2770	0.000	1	100.2770	0.000	1	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	101.1625	0.569	2	101.1625	0.324	2	100.7909	0.345	14	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	99.0386	0.000	1	99.0386	0.000	1	100.0098	1.886	2	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.9810	0.000	1	100.9810	0.000	1	100.0098	1.886	2	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	100.9930	0.000	1	100.9930	0.000	1	100.9930	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.6800	0.000	1	101.7640	0.014	2	101.7640	0.014	2	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]C[3x6]){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.8480	0.000	1	101.7640	0.014	2	101.7640	0.014	2	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	99.6718	0.000	1	99.6718	0.000	1	99.6718	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	100.8280	0.000	1	100.8280	0.000	1	100.8280	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[6,6a,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6a,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.6610	0.000	1	100.6610	0.000	1	100.6610	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6,6]C[5,6,6a]C[6,6]C)(C[6,6a]C[6a]C[6]){2|H<1>,6|C<3>}	100.9140	0.000	1	100.9140	0.000	1	100.9140	0.000	1	100.7787	0.473	24	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{2|C<4>,6|C<3>}	100.2931	0.275	3	100.2931	0.076	3	100.6315	0.315	5	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	101.1390	0.501	2	101.1390	0.251	2	100.6315	0.315	5	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	100.5370	0.000	1	100.5370	0.000	1	100.5370	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	100.7800	0.000	1	100.7800	0.000	1	100.7800	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.8007	0.022	3	100.6214	0.159	10	100.6214	0.159	10	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.0575	0.439	2	100.6214	0.159	10	100.6214	0.159	10	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	100.6025	0.146	4	100.6214	0.159	10	100.6214	0.159	10	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.2870	0.000	1	100.6214	0.159	10	100.6214	0.159	10	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	101.0310	0.000	1	101.0753	0.014	3	101.0753	0.014	3	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	101.0975	0.159	2	101.0753	0.014	3	101.0753	0.014	3	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	101.3110	0.000	1	101.3110	0.000	1	101.3110	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.6490	0.000	1	100.6490	0.000	1	100.3610	0.166	2	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	100.0730	0.000	1	100.0730	0.000	1	100.3610	0.166	2	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	99.9177	0.000	1	99.9177	0.000	1	99.9177	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	100.7860	0.000	1	100.7860	0.000	1	100.7860	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	101.2865	0.323	4	101.2865	0.104	4	101.0616	0.331	5	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.1620	0.000	1	100.1620	0.000	1	101.0616	0.331	5	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[6,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]C[5,6,6]){3|C<4>,6|C<3>}	99.7144	0.000	1	99.7144	0.000	1	99.7144	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	100.6310	0.000	1	100.6310	0.000	1	100.6310	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]C[3x6a]){8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	100.6480	0.000	1	100.6480	0.000	1	100.6480	0.000	1	100.6955	0.238	33	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.5160	0.000	1	100.5160	0.000	1	100.5160	0.000	1	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	99.6616	0.000	1	99.6616	0.000	1	99.6616	0.000	1	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:Si-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(SiC[6a]2C){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Si)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	99.5752	0.000	1	99.5752	0.000	1	99.5752	0.000	1	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	101.2020	0.926	2	101.2020	0.858	2	101.2020	0.858	2	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[6,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	101.4520	0.368	4	101.4520	0.135	4	101.4520	0.135	4	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	100.2400	0.000	1	100.2400	0.000	1	100.2400	0.000	1	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[6,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6a,6a]C[6,6a,6a]2){8|C<3>}	100.8930	0.000	1	100.8930	0.000	1	100.8930	0.000	1	100.8271	0.648	11	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)2{1|C<4>,7|C<3>}	100.4550	0.000	1	100.4550	0.000	1	100.4550	0.000	1	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){3|C<4>,6|C<3>}	100.2575	0.015	2	100.2575	0.000	2	100.2575	0.000	2	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	99.8581	0.411	4	99.7869	0.152	5	99.7869	0.152	5	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	99.5017	0.000	1	99.7869	0.152	5	99.7869	0.152	5	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	101.1660	0.147	2	101.1640	0.011	3	101.1640	0.011	3	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	101.1600	0.000	1	101.1640	0.011	3	101.1640	0.011	3	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.7223	0.423	4	100.7223	0.179	4	100.7502	0.138	5	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[6,6,6a]C[6,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.8620	0.000	1	100.8620	0.000	1	100.7502	0.138	5	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.1365	0.344	3	100.2206	0.107	4	100.2016	0.166	12	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.4730	0.000	1	100.2206	0.107	4	100.2016	0.166	12	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.3250	0.536	5	100.2897	0.237	6	100.2016	0.166	12	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.1130	0.000	1	100.2897	0.237	6	100.2016	0.166	12	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	99.8994	0.288	2	99.8994	0.083	2	100.2016	0.166	12	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6,6a]-3:C-4:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a,6a]C[5,6,6a])(CF3){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6,6a]C[5,6,6a]2){1|C<4>,7|C<3>}	100.6270	0.000	1	100.6270	0.000	1	100.6270	0.000	1	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(CF3){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2){2|C<4>,7|C<3>}	100.5803	0.204	3	100.5803	0.042	3	100.5803	0.042	3	100.3730	0.257	32	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	101.4540	0.000	1	101.4540	0.000	1	100.7435	1.010	2	100.7987	0.425	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]P)(H){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	100.0330	0.000	1	100.0330	0.000	1	100.7435	1.010	2	100.7987	0.425	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	100.4990	0.000	1	100.4990	0.000	1	100.8540	0.252	2	100.7987	0.425	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	101.2090	0.000	1	101.2090	0.000	1	100.8540	0.252	2	100.7987	0.425	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.3090	0.000	1	100.3090	0.000	1	100.3090	0.000	1	101.1570	1.438	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:H-1:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2P)(H){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H){1|P<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5,6a,6a]C[5,6a,6a]2){1|P<4>,8|C<3>}	102.0050	0.000	1	102.0050	0.000	1	102.0050	0.000	1	101.1570	1.438	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:Cl-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Cl)(Cl){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){2|Cl<1>,8|C<3>}	99.2502	0.000	1	99.2502	0.000	1	99.2502	0.000	1	99.2502	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[3,5,6,6]C[5,6,6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,2|O<2>,7|C<3>}	100.1300	0.000	1	100.1300	0.000	1	100.3315	0.081	2	99.8601	0.254	8	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2O)(OO){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){2|O<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]O){2|O<2>,8|C<3>}	100.5330	0.000	1	100.5330	0.000	1	100.3315	0.081	2	99.8601	0.254	8	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,8|C<3>}	99.1790	0.108	2	99.1790	0.012	2	99.7030	0.220	6	99.8601	0.254	8	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	100.2230	0.000	2	100.2230	0.000	2	99.7030	0.220	6	99.8601	0.254	8	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OSi){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|O<2>,8|C<3>}	99.7069	0.000	2	99.7069	0.000	2	99.7030	0.220	6	99.8601	0.254	8	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O){1|C<4>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	100.1770	0.000	1	100.1770	0.000	1	100.1770	0.000	1	100.1770	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(OC){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	99.5755	0.000	1	99.5755	0.000	1	99.5755	0.000	1	100.8439	0.803	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:O-2:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(OC){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]O)(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	101.1610	0.633	4	101.1610	0.400	4	101.1610	0.400	4	100.8439	0.803	5	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2C[5a,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	101.3200	0.000	1	101.3200	0.000	1	101.3200	0.000	1	100.5590	1.158	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[5,6,6]C[5,6,6a]2){14|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]2){11|C<3>}	99.7981	0.000	1	99.7981	0.000	1	99.7981	0.000	1	100.5590	1.158	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(CC[6a]N)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(CC[6a]N){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Os<7>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Os<7>,1|C<4>,8|C<3>}	99.9464	0.000	1	99.9464	0.000	1	99.9464	0.000	1	99.5214	0.361	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[6a]C[6a]2){10|C<3>,1|H<1>,1|O<2>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a]){10|C<3>,1|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){10|C<3>,1|C<4>}	99.0964	0.000	1	99.0964	0.000	1	99.0964	0.000	1	99.5214	0.361	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(CC[6a]N)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6]Os)(CC[6a]N){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Os<7>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Os<7>,1|C<4>,8|C<3>}	99.1150	0.000	1	99.1150	0.000	1	99.1150	0.000	1	100.2140	0.257	14	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Au)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>,1|Au<2>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){11|C<3>,1|Au<2>}	99.7761	0.000	1	99.7761	0.000	1	100.2986	0.171	13	100.2140	0.257	14	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,2|C<4>,9|C<3>}	100.2616	0.220	7	100.2167	0.081	9	100.2986	0.171	13	100.2140	0.257	14	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,3|C<4>,8|C<3>}	100.0596	0.545	2	100.2167	0.081	9	100.2986	0.171	13	100.2140	0.257	14	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Pd<8>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Pd<8>,2|C<4>,9|C<3>}	100.7183	0.516	3	100.7183	0.266	3	100.2986	0.171	13	100.2140	0.257	14	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,2|C<4>,9|C<3>}	99.7093	0.295	2	99.7093	0.087	2	100.1057	0.431	4	100.1057	0.431	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Pd<8>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,2|C<4>,9|C<3>}	100.5020	0.761	2	100.5020	0.579	2	100.1057	0.431	4	100.1057	0.431	4	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,2|C<4>,9|C<3>}	100.1966	0.320	18	100.1966	0.102	18	100.2695	0.215	23	100.2695	0.215	23	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(C[6a]C[6a]2){2|H<1>,4|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,2|C<4>,9|C<3>}	100.5319	0.798	5	100.5319	0.636	5	100.2695	0.215	23	100.2695	0.215	23	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Fe<10>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Fe<10>,3|C<4>,6|C<3>}	101.1040	1.307	2	101.1040	1.708	2	100.5724	1.227	7	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ir<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ir<8>,3|C<4>,6|C<3>}	100.4555	1.548	3	100.4555	2.396	3	100.5724	1.227	7	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Mo<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Mo<8>,3|C<4>,6|C<3>}	100.2160	0.065	2	100.2160	0.004	2	100.5724	1.227	7	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C[6a])(CSiHH){10|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){9|C<3>}	98.8845	0.000	1	98.8845	0.000	1	98.8845	0.000	1	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C)(CCHH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|C<4>,8|C<3>}	100.4530	0.486	2	100.4530	0.237	2	100.1799	0.342	3	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CSiHH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	99.6337	0.000	1	99.6337	0.000	1	100.1799	0.342	3	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	99.0808	0.000	1	99.0808	0.000	1	99.0808	0.000	1	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6a,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2O)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|O<2>,8|C<3>}	98.4487	0.628	3	98.4487	0.394	3	98.4487	0.394	3	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Os){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	100.7760	0.000	1	100.7760	0.000	1	100.7760	0.000	1	99.9146	1.401	16	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Fe<10>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	100.6390	0.199	2	100.6390	0.040	2	99.3209	1.449	19	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ir)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ir<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ir<8>,3|C<4>,6|C<3>}	99.8500	0.969	2	99.8500	0.938	2	99.3209	1.449	19	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Mo<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Mo<8>,3|C<4>,6|C<3>}	100.2555	0.359	2	100.2555	0.129	2	99.3209	1.449	19	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|Ru<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<8>,3|C<4>,6|C<3>}	98.8643	1.231	12	98.8643	1.516	12	99.3209	1.449	19	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(CC[6a]HH){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	99.2358	0.000	1	99.2358	0.000	1	99.3209	1.449	19	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2B){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	99.9185	0.000	1	99.9185	0.000	1	99.9185	0.000	1	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:P-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2H)(PC[6a]2Fe){8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P){1|H<1>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]P)(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,8|C<3>}	100.9640	0.000	1	100.9640	0.000	1	100.9640	0.000	1	99.4276	1.445	21	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CCHH){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	100.3510	0.000	1	100.3510	0.000	1	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Fe<10>,3|C<4>,6|C<3>}	100.6366	0.238	15	100.6366	0.057	15	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2H)(CSiHH){2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	100.3150	0.000	1	100.3150	0.000	1	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Mo)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Mo<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Mo<8>,3|C<4>,6|C<3>}	100.7000	0.000	1	100.7000	0.000	1	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Pd)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Pd<8>,3|C<4>,6|C<3>}	101.0231	0.992	10	101.0231	0.985	10	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Re)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Re<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Re<8>,3|C<4>,6|C<3>}	100.2475	0.589	5	100.2475	0.347	5	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<10>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<10>,3|C<4>,6|C<3>}	100.5834	0.699	5	99.9654	0.613	28	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Ru)(CH3){4|C<3>,4|C<4>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<8>,3|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){1|Ru<8>,3|C<4>,6|C<3>}	99.8310	0.747	23	99.9654	0.613	28	100.3510	0.628	61	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:C[5]-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2Fe)(C[5]C[5]O[5]H){2|H<1>,4|C<3>,6|C<4>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,1|H<1>,1|O<2>,3|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|Fe<10>,1|H<1>,1|O<2>,3|C<4>,7|C<3>}	100.0690	0.000	1	100.0690	0.000	1	100.0690	0.000	1	100.3465	0.619	62	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:1:	3:4:3:	3:3:4:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,9|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,1|N<3>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H){1|C<4>,1|N<3>,7|C<3>}	99.2495	0.000	1	99.2495	0.000	1	99.2495	0.000	1	99.2495	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:1:	3:4:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,1|N<2>,1|N<3>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	96.7730	0.000	1	96.7730	0.000	1	96.7730	0.000	1	96.7730	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,5a])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){2|C<4>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	99.8540	0.116	2	99.8540	0.013	2	100.0587	0.132	3	100.0587	0.132	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:1:	4:3:3:	3:4:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.4680	0.000	1	100.4680	0.000	1	100.0587	0.132	3	100.0587	0.132	3	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:1:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:H-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(H){1|C<4>,2|H<1>,9|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|H<1>,2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]H)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|C<4>,7|C<3>}	100.1940	0.000	1	100.1940	0.000	1	100.1940	0.000	1	100.1940	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:2:	3:4:3:	3:4:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|C<4>,2|O<2>,6|C<3>}	99.4867	0.000	1	100.5713	2.353	2	100.5713	2.353	2	100.5713	2.353	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:2:	3:4:3:	3:4:3:	C[3,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:O-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6,6]O[3])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(OO){3|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[3,5,6,6]C[5,6,6a]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|C<4>,2|O<2>,7|C<3>}	101.6560	0.000	1	100.5713	2.353	2	100.5713	2.353	2	100.5713	2.353	2	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	4:3:3:4:	3:4:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a])	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]N[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(CC[6a]2H){11|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6a]){1|C<4>,1|N<3>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,5,6,6]C[5,6,6a]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,1|N<3>,7|C<3>}	97.8005	0.000	1	97.8005	0.000	1	97.8005	0.000	1	97.8005	0.000	1	100.4441	0.913	348	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[3x6]-3:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6])	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2){10|C<3>,1|H<1>,1|N<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6a]C[6,6a]C[3x6])(C[5,6,6a]C[5,6a,6a]C[5,6]){10|C<3>}	C[5,6a](C[5,6,6]C[5,6,6a]C[6,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,1|O<1>}	97.9942	0.000	1	97.9942	0.000	1	97.9942	0.000	1	97.9942	0.000	1	97.9942	0.000	1	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:C[6]-4:C[6]-4:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|S<2>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|S<2>,2|C<4>,4|H<1>}	101.1550	0.000	1	100.4573	0.393	3	100.4573	0.393	3	100.4573	0.393	3	100.4573	0.393	3	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:C[6]-4:C[6]-4:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,5a]-3:C[5,6]-4:C[5a]-3:	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H)	C[5,6](C[5,5a]C[5,5a]C[5a])2(C[6]C[6]HH)2{1|C<4>,2|C<3>,2|S<2>,6|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5,6]C[5,5a]C[6]2)(C[5a]C[5a]H){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	100.1084	0.237	2	100.4573	0.393	3	100.4573	0.393	3	100.4573	0.393	3	100.4573	0.393	3	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,5a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,5a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,5a]-3:C[5a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6])	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,5a]C[5,5a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,1|S<2>,4|H<1>,7|C<3>}	C[5,6,6a](C[5,6]C[5,5a]C[6,6a]C[6a])(C[5,6a]C[5a,6a]C[5,5a])(C[6,6a]C[6a]C[6]){1|Cl<1>,1|S<2>,9|C<3>}	C[5,5a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5a]C[5a]H){1|H<1>,6|C<3>}	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	100.5950	0.000	1	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:2:1:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:O[6]-2:H-1:	C[6,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6a,6a]-3:C[6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H)	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H)	C[5,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6a]C[5,6a,6a]C[6,6a])(O[6]C[6,6])(H){1|C<4>,1|N<3>,1|S<2>,5|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[3x6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]O[6]H){1|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H){1|C<4>,6|C<3>}	100.0350	0.000	1	100.0350	0.000	1	100.0350	0.000	1	100.0350	0.000	1	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O){1|O<1>,8|C<3>}	100.1980	0.000	1	100.3490	0.046	2	100.3490	0.046	2	100.3490	0.046	2	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5a,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5,6]C[5,6,6a]C[5,6]O){1|O<1>,8|C<3>}	100.5000	0.000	1	100.3490	0.046	2	100.3490	0.046	2	100.3490	0.046	2	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5])(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){2|O<2>,8|C<3>}	100.2320	0.000	1	100.2320	0.000	1	100.2085	0.001	2	100.5433	0.547	6	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|N<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	100.1850	0.000	1	100.1850	0.000	1	100.2085	0.001	2	100.5433	0.547	6	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OH){1|C<4>,1|N<2>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	99.8536	0.000	1	99.8536	0.000	1	100.7107	0.800	4	100.5433	0.547	6	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|C<4>,1|O<1>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){1|O<1>,8|C<3>}	100.0250	0.000	1	100.9963	0.710	3	100.7107	0.800	4	100.5433	0.547	6	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6]-4:C[5,6a,6a]-3:C[5,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O)	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6a]C[5,6]O){1|O<2>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5]){2|O<2>,8|C<3>}	101.4820	0.065	2	100.9963	0.710	3	100.7107	0.800	4	100.5433	0.547	6	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6])	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2){1|C<4>,4|H<1>,8|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a,6a]C[6]){1|C<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	100.6760	0.000	1	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6]C[5,6a]C[6]C){1|O<1>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	99.0720	0.000	1	99.0720	0.000	1	99.0720	0.000	1	99.0720	0.000	1	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.3110	0.000	1	100.6136	0.204	7	100.6136	0.204	7	100.6136	0.204	7	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.8032	0.541	4	100.6136	0.204	7	100.6136	0.204	7	100.6136	0.204	7	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:3:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6,6a]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6])	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3){1|N<3>,2|H<1>,6|C<3>}	C[5,6,6a](C[5,6]C[5,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6a]N[6]){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6,6a]C[6,6a]C)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.3855	0.086	2	100.6136	0.204	7	100.6136	0.204	7	100.6136	0.204	7	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6,6a]	C[5,6a]	3:3:4:2:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6a]-3:C[6]-4:O-2:	C[5,6a]-3:C[5,6]-4:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH)	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6])	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)(OH){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]O)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5,6a](C[5,6]C[5,6,6a]C[6]O)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	101.2670	1.086	2	101.2670	1.180	2	101.2670	1.180	2	101.2670	1.180	2	100.5285	0.462	20	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3x6]O[6])(OO){4|C<3>,4|C<4>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O){2|O<2>,7|C<3>}	100.6380	0.000	1	100.6380	0.000	1	100.6380	0.000	1	100.6380	0.000	1	100.3382	2.085	5	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:3:2:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-3:O-2:	C[5,6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a]C[5,6a,6a]C[5])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6]C[5])(OO){1|I<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]O)(C[5,6a]C[5,6a,6a]C[5]){1|C<4>,2|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[5,6]O){1|C<4>,1|O<2>,7|C<3>}	102.2610	0.000	1	102.2610	0.000	1	102.2610	0.000	1	102.2610	0.000	1	100.3382	2.085	5	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6]C){1|C<4>,1|O<1>,8|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6]C[5,6a]C[6]C){1|O<1>,7|C<3>}	98.5134	0.000	1	98.5134	0.000	1	98.5134	0.000	1	98.5134	0.000	1	100.3382	2.085	5	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:4:2:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6a]-3:C[6,6]-4:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6,6a]-3:C[5,6a,6a]-3:C[5,6]-4:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O)	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6,6]C[3,3x6]O[6]O)(OO){1|O<2>,3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5,6]C[5,6,6a]C[6,6]O){1|C<4>,3|O<2>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[3,5,6,6]C[5,6a,6a])(C[5,6a,6a]C[5,6a,6a]2)(C[5,6]C[5,6a]C[6,6]O){2|C<4>,3|O<2>,5|C<3>}	100.8960	0.000	1	100.8960	0.000	1	100.8960	0.000	1	100.8960	0.000	1	100.3382	2.085	5	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,6]-4:C[5,6a]-3:	C[5,6,6a]-3:C[5,6]-4:C[5,6a,6a]-3:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5])	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6,6]C[5]O)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|F<1>,8|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6]C[5,6,6a]C[5,6]C[6a])(C[5,6a]C[5,6a,6a]C[5]){10|C<3>,3|O<2>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6]C[5,6a]C[5,6]C[6a])(C[5,6a,6a]C[5,6a,6a]2){10|C<3>,2|O<2>}	99.3824	0.000	1	99.3824	0.000	1	99.3824	0.000	1	99.3824	0.000	1	100.3382	2.085	5	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:O[6]-2:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(O[6]C[6,6a])(C[6]C[6]H){3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	101.5280	0.256	2	101.5280	0.066	2	101.5280	0.066	2	101.5280	0.066	2	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)(N[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	100.6580	0.000	1	100.6580	0.000	1	100.9663	0.114	3	100.9663	0.114	3	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:N[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]C)2{1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]N[6]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	101.1205	0.293	2	101.1205	0.086	2	100.9663	0.114	3	100.9663	0.114	3	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:2:	C[5,6a]-3:C[5,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5a,6]C[5a,6]C[5a])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|N<2>,2|N<3>,3|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,2|N<2>,4|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]N[6a])(N[6a]C[6a,6a]){1|C<2>,7|C<3>}	100.5980	0.000	1	100.5980	0.000	1	100.5980	0.000	1	100.5980	0.000	1	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.8615	0.139	2	100.9390	0.017	4	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[5,6a]H){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.0165	0.086	2	100.9390	0.017	4	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,3|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.9640	0.177	2	100.9640	0.031	2	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|C<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.5635	0.175	2	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.1780	0.201	3	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	100.3850	0.000	1	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	100.7010	0.398	4	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.8810	0.035	2	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.5320	0.000	1	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|O<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.9383	0.183	3	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.9080	0.000	1	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	101.4393	0.400	3	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{4|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.8180	0.000	1	100.9049	0.144	21	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|Br<1>,1|O<2>,2|N<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	100.9160	0.000	1	100.6777	0.076	3	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	100.7410	0.000	1	100.6777	0.076	3	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|N<2>,4|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	100.3760	0.000	1	100.6777	0.076	3	100.8907	0.113	30	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){3|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,6|C<3>}	100.8945	0.042	2	100.8945	0.002	2	100.9592	0.009	4	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	100.9600	0.000	1	100.9600	0.000	1	100.9592	0.009	4	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	101.0880	0.000	1	101.0880	0.000	1	100.9592	0.009	4	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:C[6]-3:	C[5,6]-4:C[6a,6a]-3:C[5,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|O<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a]){1|O<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]C[6])(C[5,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,7|C<3>}	100.8170	0.000	1	100.8170	0.000	1	100.8170	0.000	1	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5a,6]-3:C[5,6a]-3:C[5,6a]-3:C[6]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6a]C[5,6a]C[6a])2(C[6]C[6]I){1|N<3>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5a,6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|I<1>,2|H<1>,6|C<3>}	100.5810	0.000	1	100.5810	0.000	1	100.5810	0.000	1	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a])	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[6,6a]C[6,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])2(C[6,6a]C[6,6a]C[6a]){1|N<3>,3|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2){2|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]C[6,6a]2)(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.6902	0.438	5	101.6902	0.191	5	101.6902	0.191	5	100.9855	0.175	41	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:S[6]-2:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6])	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[5,6]C[5,6a]2S[6])(S[6]S[6]){1|S<2>,2|H<1>,8|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	C[5,6a](C[5,6]C[5,6a]C[5,6]S[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|H<1>,2|S<2>,5|C<3>}	102.2555	0.128	2	102.2555	0.016	2	102.2555	0.016	2	102.2555	0.016	2	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]H){1|C<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	100.6080	0.000	1	100.6080	0.000	1	100.6080	0.000	1	100.6080	0.000	1	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[4,6]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	101.2920	0.000	1	101.2920	0.000	1	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	100.4880	0.027	2	100.7090	0.147	3	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,4|C<3>,6|H<1>}	101.1510	0.000	1	100.7090	0.147	3	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6]HH)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	101.0400	0.000	1	101.0400	0.000	1	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|Br<1>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){1|Br<1>,5|C<3>,5|H<1>}	101.5990	0.000	1	101.5990	0.000	1	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]HH)2{1|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]2){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	101.0360	0.000	1	101.0360	0.000	1	101.0134	0.166	7	101.0134	0.166	7	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5,6]	C[5,6a]	C[5,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:Ge[6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6]-4:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH)	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])2(Ge[6]C[6a]2O[6])(C[6]C[6]CH){3|H<1>,9|C<3>}	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	C[5,6a](C[5,6]C[5,6a]Ge[6]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|O<2>,3|H<1>,7|C<3>}	103.0460	0.000	1	103.0460	0.000	1	103.0460	0.000	1	103.0460	0.000	1	101.0727	0.285	58	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(H)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(H)2{2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]HH)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	101.6660	0.082	2	101.6660	0.007	2	101.6660	0.007	2	101.6660	0.007	2	99.4406	4.005	7	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:3:3:	3:4:2:	3:4:2:	C[5,5a]-3:C[5,5a]-3:C[6a]-3:C[6a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a])	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a])	C[5](C[5,5a]C[5,5a]S[5a])2(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a]){1|S<2>,7|C<3>}	C[5,5a](C[5,5a]C[5a,6a]C[5,5a])(C[5]C[5,5a]C[6a]2)(S[5a]C[5a,6a]){1|S<2>,7|C<3>}	97.1765	0.000	1	97.1765	0.000	1	97.1765	0.000	1	97.1765	0.000	1	99.4406	4.005	7	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	C[5,5a]-3:N[5a,6]-3:C[5]-4:	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC)	C[5](C[5,5a]C[5,5a]N[5a,6])2(CH3)2{2|B<4>,4|C<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	C[5,5a](C[5,5a]C[5,5a]C[5a])(N[5a,6]C[5a,6]B[6])(C[5]C[5,5a]CC){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	96.6022	0.000	1	96.6022	0.000	1	96.6022	0.000	1	96.6022	0.000	1	99.4406	4.005	7	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,5a]-3:C-4:C-4:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CCHH)2{2|C<3>,2|H<1>,2|S<2>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5,5a]S[5a])(C[5]C[5,5a]CC)(C[5a]C[5a]H){1|S<2>,2|C<3>}	99.6578	0.630	3	99.6578	0.397	3	99.6578	0.397	3	99.6578	0.397	3	99.4406	4.005	7	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]HH){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6220	0.000	1	101.6220	0.000	1	101.6220	0.000	1	101.6820	0.003	3	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,5a]-3:H-1:H-1:	C[5,5a]-3:C[5,5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5,5a]2)(H)2{1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5,5a]C[5,5a]C[5])(C[5]C[5,6a]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	101.7120	0.000	2	101.7120	0.000	2	101.7120	0.000	2	101.6820	0.003	3	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6270	0.000	2	101.6270	0.000	2	101.6270	0.000	2	101.6270	0.000	2	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]H){8|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1	101.9590	0.000	1	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,5|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]H){1|H<1>,1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.7110	0.475	2	100.7110	0.226	2	100.7110	0.226	2	100.7110	0.226	2	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,5|H<1>,8|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	99.8337	0.000	1	99.8337	0.000	1	99.8337	0.000	1	99.8337	0.000	1	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C-4:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CCHH){3|H<1>,7|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5,6a])(C[5a]C[5a,6a]C[6a])(C[5]C[5,6a]C[6a]C){8|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.3760	0.000	1	100.3760	0.000	1	100.3760	0.000	1	100.3760	0.000	1	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5a,6a]-3:N[5,5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,5a]C[5a,6a]N[5,5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH){6|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.3860	0.000	1	100.3860	0.000	1	100.3860	0.000	1	100.5250	0.039	2	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,5a]	C[5,6a]	3:3:4:1:	3:3:4:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:H-1:	N[5,5a]-3:C[5a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)(H){1|H<1>,5|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5a]C[5a]C[6a])(C[5]C[5,6a]CH){1|C<2>,5|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.6640	0.000	1	100.6640	0.000	1	100.6640	0.000	1	100.5250	0.039	2	101.0784	0.515	12	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:1:	3:4:3:	3:4:2:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(S[5a]C[5a]){1|N<3>,2|C<3>}	101.0540	0.000	1	101.0540	0.000	1	101.0540	0.000	1	101.0540	0.000	1	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]HH)(C[5a]N[5a]C){1|H<1>,2|C<3>}	101.1660	0.000	1	101.1660	0.000	1	101.1660	0.000	1	101.3585	0.074	2	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]HH)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,5a](N[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(C[5a]C[5a]H){2|C<3>,2|H<1>}	101.5510	0.000	1	101.5510	0.000	1	101.5510	0.000	1	101.3585	0.074	2	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:2:1:	3:4:3:	3:4:2:	C[5,5a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a])	C[5](C[5,5a]C[5,5a]N[5a])(C[5,6a]C[5,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a]){1|H<1>,3|C<3>}	99.9219	0.000	1	99.9219	0.000	1	99.9219	0.000	1	100.8184	0.264	5	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:2:1:	3:4:3:	3:4:2:	C[5,5a]-3:C[5,6a]-3:S-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(SC[6a])(H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,5a])(C[5]C[5,5a]HS)(C[6a]C[6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HS)(S[5a]C[5a]){2|C<3>,2|H<1>}	101.0425	0.130	4	101.0425	0.017	4	101.0425	0.017	4	100.8184	0.264	5	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,5a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,3|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,5a]N[6a])(C[5]C[5,5a]C[6a]H){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,3|C<3>}	101.2050	0.000	1	101.2050	0.000	1	101.2050	0.000	1	101.2050	0.000	1	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]C[6a]H)(C[5a]N[5a]C){5|C<3>}	100.3640	0.000	1	100.3640	0.000	1	100.3640	0.000	1	100.3640	0.000	1	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:3:	3:4:3:	3:3:4:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-4:	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H)	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)	C[5](C[5,5a]C[5a,5a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{2|S<2>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,7|C<3>}	C[5,5a](C[5a,5a]C[5a,5a]S[5a])(C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2){8|C<3>}	99.7502	0.232	4	99.7502	0.054	4	99.7502	0.054	4	99.7502	0.054	4	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{1|S<2>,6|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]C[6a]2)(C[6a]C[6a]H){1|S<2>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]C[6a]2)(C[5a]C[5a]H){7|C<3>}	100.0970	0.000	1	100.0970	0.000	1	100.0970	0.000	1	100.0970	0.000	1	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH)	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H)	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O)	C[5](C[5,5a]N[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)(OH){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]N[5,5a]C[6a])(C[5]C[5,5a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O){2|C<3>}	99.4325	0.090	2	99.4325	0.008	2	99.4325	0.008	2	99.4325	0.008	2	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:2:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:S[5a]-2:	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H)	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a])	C[5](C[5,5a]C[5,5a]S[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,5a]C[5,6a])(C[5]C[5,6a]CC)(S[5a]C[5a,5a]){1|S<2>,3|C<3>}	98.8488	0.077	2	98.8488	0.006	2	98.8488	0.006	2	98.8488	0.006	2	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	100.3225	0.096	4	100.3225	0.009	4	100.3676	0.160	8	100.3676	0.160	8	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]O){1|O<2>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){3|C<3>}	99.8954	0.027	2	99.8954	0.001	2	100.3676	0.160	8	100.3676	0.160	8	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,5a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,5a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H)	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H)	C[5](C[5,5a]C[5,5a]C[5a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5a]C[6a])(C[5]C[5,5a]CC)(C[6a]C[5,6a]H){1|H<1>,1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]S[5a])(C[5]C[5,6a]CC)(C[5a]C[5a]H){1|H<1>,2|C<3>}	100.9300	0.082	2	100.9300	0.007	2	100.3676	0.160	8	100.3676	0.160	8	100.2975	0.554	27	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(H)2{6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	102.2410	0.000	1	102.2410	0.000	1	102.2410	0.000	1	102.9198	0.161	5	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]H)(C[5]C[5,6a]HH){1|H<1>,4|C<3>}	103.2130	0.000	1	103.2130	0.000	1	103.2130	0.000	1	102.9198	0.161	5	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[6,6,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[6,6,6a]C[5,6a])2(H)2{2|C<4>,4|C<3>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[5,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[6,6,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,3|C<3>,4|C<4>}	103.0483	0.157	3	103.0483	0.025	3	103.0483	0.025	3	102.9198	0.161	5	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.7060	0.000	1	103.7060	0.000	1	103.7060	0.000	1	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6,6a])(C[5,6a]C[5,6a,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]HH){3|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	104.0530	0.000	1	104.0530	0.000	1	104.0530	0.000	1	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a]C[5])(C[5]C[5,6a]HH){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	102.9883	0.500	3	102.9883	0.250	3	102.9883	0.250	3	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.9850	0.000	1	102.9850	0.000	1	102.9850	0.000	1	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]HH){2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.8560	0.000	1	102.8560	0.000	1	102.8560	0.000	1	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[4,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.4680	0.000	1	103.4680	0.000	1	103.2855	0.067	2	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[5a,6a]C)(C[5]C[5,6a]HH){1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.1030	0.000	1	103.1030	0.000	1	103.2855	0.067	2	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	103.3410	0.000	1	103.4807	0.188	9	103.4287	0.215	13	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.4981	0.460	8	103.4807	0.188	9	103.4287	0.215	13	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.7860	0.214	2	103.7860	0.046	2	103.4287	0.215	13	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(H)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.8375	0.221	2	102.8375	0.049	2	103.4287	0.215	13	103.3504	0.220	22	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	102.9235	0.213	2	102.9235	0.045	2	103.3753	0.635	3	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	104.2790	0.000	1	104.2790	0.000	1	103.3753	0.635	3	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	103.5630	0.000	1	103.6914	0.260	8	103.3745	0.377	13	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	103.7456	0.288	5	103.6914	0.260	8	103.3745	0.377	13	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]HH){5|C<3>}	103.6200	1.202	2	103.6914	0.260	8	103.3745	0.377	13	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH){6|C<3>}	102.8674	0.391	5	102.8674	0.153	5	103.3745	0.377	13	103.3746	0.386	16	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(N[6a]C[6a,6a]){4|C<3>}	102.1800	0.000	1	102.1800	0.000	1	102.1800	0.000	1	102.1800	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:F-1:F-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(F)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(F)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]FF)(C[6a]C[6a]H){1|H<1>,4|C<3>}	104.2750	0.123	2	104.2750	0.015	2	104.2750	0.015	2	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	102.1865	0.033	2	102.1865	0.001	2	102.3570	0.088	3	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5,6,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[5,6a](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>}	102.6980	0.000	1	102.6980	0.000	1	102.3570	0.088	3	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.6083	2.058	3	103.1481	1.200	11	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	102.9755	0.616	8	103.1481	1.200	11	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{1|S<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	98.7274	0.000	1	102.1573	4.051	16	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	102.3859	1.856	15	102.1573	4.051	16	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,4|C<3>}	102.7900	0.000	1	103.0390	0.136	4	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.1220	0.403	3	103.0390	0.136	4	102.6226	2.679	31	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	102.6370	0.000	2	102.6370	0.000	2	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	102.5665	0.433	2	102.5665	0.188	2	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.6830	0.000	1	102.6830	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.7280	0.224	4	102.7280	0.050	4	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	102.8980	0.000	1	102.8980	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.2580	0.000	1	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2099	2.180	4	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	102.8000	0.000	1	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|Cl<1>,4|C<3>}	102.9267	0.265	3	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	103.0005	0.226	2	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.0110	0.000	1	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.8383	0.294	6	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<4>,3|C<3>}	102.7200	0.000	1	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.0960	0.146	3	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.0699	0.480	10	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.0120	0.000	1	102.7406	0.907	33	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]N[6a]O){1|C<2>,4|C<3>}	102.5940	0.000	1	102.5940	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]2){1|C<2>,5|C<3>}	102.5250	0.000	1	102.5250	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.2030	0.000	1	103.2030	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	102.1370	0.000	1	102.1370	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	101.1167	0.562	4	101.1167	0.316	4	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:1:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(H)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(H)2{2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	102.2950	0.000	1	102.2950	0.000	1	102.5877	0.796	52	102.6305	1.458	88	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])2(OC)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]O[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HO){4|C<3>}	101.7680	0.000	1	101.7680	0.000	1	102.1510	0.293	2	102.1510	0.293	2	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)	C[5](C[5,6a]C[5,6a]C[6a])2(OSi)(H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]C[5,6a]HO){6|C<3>}	102.5340	0.000	1	102.5340	0.000	1	102.1510	0.293	2	102.1510	0.293	2	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:O-2:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(OC[6a])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.8890	0.000	1	102.8890	0.000	1	102.8890	0.000	1	102.8890	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5]C[5,6a]OO)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC){1|C<4>,5|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5]C[5,6a]OO){1|O<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO){1|O<1>,6|C<3>}	100.0670	0.000	1	100.0670	0.000	1	100.0670	0.000	1	99.3793	0.237	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5]C[5,6a]OO)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OH){2|C<4>,4|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(C[5]C[5,6a]OO){1|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]OO){1|O<2>,7|C<3>}	99.1605	0.000	1	99.1605	0.000	1	99.1605	0.000	1	99.3793	0.237	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[5,6a]-3:C[5,6a,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC)	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]OO)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a,6a]C[5,6a])2(OC[5])(OC){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a,6a]C[5,6])(C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]OO){1|O<2>,7|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5,6a]C[5,6a,6a]C[5])(C[5]C[5,6a]OO){1|O<1>,6|C<3>}	99.1448	0.285	2	99.1448	0.081	2	99.1448	0.081	2	99.3793	0.237	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5,6a]-3:C[6,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(CC)(OH){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6])(C[5]C[5,6a]CO){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1960	0.000	1	101.1960	0.000	1	101.1960	0.000	1	101.1960	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:2:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-2:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6372	0.216	51	101.6372	0.047	51	101.6372	0.047	51	101.6372	0.047	51	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	101.4515	0.728	2	101.4515	0.529	2	101.4515	0.529	2	101.4515	0.529	2	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,5|C<3>}	101.1950	0.000	1	101.1950	0.000	1	101.4543	0.120	6	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|S<2>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	101.7520	0.000	1	101.7520	0.000	1	101.4543	0.120	6	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.8700	0.000	1	101.8700	0.000	1	101.4543	0.120	6	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){1|H<1>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	100.9370	0.000	1	101.3030	0.101	3	101.4543	0.120	6	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.4860	0.027	2	101.3030	0.101	3	101.4543	0.120	6	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(H){2|H<1>,8|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	101.6780	0.000	1	101.6780	0.000	1	101.3992	0.064	4	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){1|Sn<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	101.3630	0.000	1	101.3063	0.044	3	101.3992	0.064	4	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	101.4830	0.000	1	101.3063	0.044	3	101.3992	0.064	4	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.0730	0.000	1	101.3063	0.044	3	101.3992	0.064	4	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N[6]H){1|H<1>,2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	101.5410	0.629	2	101.5410	0.396	2	101.5410	0.396	2	101.4504	0.110	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:B-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(BNN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.0600	0.000	1	102.0600	0.000	1	102.0600	0.000	1	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1080	0.000	1	102.1080	0.000	1	102.0617	0.016	3	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.9200	0.000	1	101.9200	0.000	1	102.0617	0.016	3	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1570	0.000	1	102.1570	0.000	1	102.0617	0.016	3	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(H){1|N<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.9410	0.000	1	101.9410	0.000	1	101.9410	0.000	1	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|Br<1>,6|C<3>}	101.6530	0.000	1	101.6530	0.000	1	101.6530	0.000	1	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]2)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	102.1270	0.000	1	102.1270	0.000	1	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.8293	0.059	4	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.8360	0.000	1	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<3>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.9360	0.000	1	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.0005	0.607	2	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	101.6970	0.000	1	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.8463	0.184	3	101.6938	0.148	12	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){5|C<3>}	101.3245	0.015	2	101.3245	0.000	2	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]N[6a]H){6|C<3>}	101.2560	0.000	1	101.2560	0.000	1	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	101.8085	0.254	2	101.8085	0.064	2	101.6653	0.139	18	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[3]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[3]C[3]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[3]C[3]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[3]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	102.1370	0.000	1	102.1370	0.000	1	102.1370	0.000	1	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){1|Rh<6>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	102.4490	0.000	1	101.9920	0.158	3	101.9920	0.158	3	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	101.7635	0.059	2	101.9920	0.158	3	101.9920	0.158	3	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a,6a]H){2|C<4>,5|C<3>}	101.8880	0.000	1	101.8880	0.000	1	101.9968	0.088	5	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	101.6820	0.000	1	102.0240	0.113	4	101.9968	0.088	5	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	102.0530	0.372	2	102.0240	0.113	4	101.9968	0.088	5	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[6]C[6]2)(H){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	102.3080	0.000	1	102.0240	0.113	4	101.9968	0.088	5	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1910	0.000	1	102.1910	0.000	1	102.1910	0.000	1	101.8265	0.129	34	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a,6a]-3:C[5a,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])2(CNO)(OO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5]C[5,6a]CO)	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a,6a]C[5a,6a])2(CNO)(OO){6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5]C[5,6a]CO){1|O<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(C[5]C[5,6a]CO){1|O<1>,6|C<3>}	99.8467	0.000	1	99.8467	0.000	1	99.8467	0.000	1	99.8467	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OC){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.9900	0.000	1	100.9900	0.000	1	101.0590	0.333	4	101.0590	0.333	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|I<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.2800	0.870	2	101.0820	0.496	3	101.0590	0.333	4	101.0590	0.333	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O){1|H<1>,1|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.6860	0.000	1	101.0820	0.496	3	101.0590	0.333	4	101.0590	0.333	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5a]C[5a,6a]C[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(N[6a]C[6a,6a]){1|O<1>,6|C<3>}	100.5300	0.000	1	100.5300	0.000	1	100.5300	0.000	1	100.5300	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	101.1150	0.000	1	101.4375	0.208	2	101.3170	0.148	3	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCC)(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.7600	0.000	1	101.4375	0.208	2	101.3170	0.148	3	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.0760	0.000	1	101.0760	0.000	1	101.3170	0.148	3	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(OC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCO)(OC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.3950	0.000	1	102.3950	0.000	1	101.8427	0.221	4	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]C)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2480	0.000	1	101.2480	0.000	1	101.8427	0.221	4	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(COO)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(COO)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.8640	0.054	2	101.8640	0.003	2	101.8427	0.221	4	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]C[5a])(CC){1|N<3>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.8210	0.000	1	100.8210	0.000	1	100.8210	0.000	1	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a,6a]N[5a])(OH){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	101.2840	0.000	1	101.2840	0.000	1	101.2840	0.000	1	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CN){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.6040	0.000	1	101.6040	0.000	1	101.6040	0.000	1	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[5,6a]C[6a])(OH){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.2840	0.000	1	101.2840	0.000	1	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.6050	0.000	1	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.0845	0.359	4	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<2>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.4230	0.000	1	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.5760	0.519	2	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	101.1969	0.138	8	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.2873	0.372	19	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.2229	0.226	50	101.2317	0.079	85	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){1|N<3>,2|N<2>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	101.0520	0.000	1	100.7140	0.089	3	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OH){2|N<2>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	100.5450	0.085	2	100.7140	0.089	3	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(OO){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.6020	0.000	1	101.6020	0.000	1	101.2191	0.087	90	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC){1|C<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	102.0190	0.000	1	102.0190	0.000	1	102.0190	0.000	1	101.2552	0.111	101	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a,6a]){8|C<3>}	100.1030	0.000	1	100.1030	0.000	1	100.1030	0.000	1	100.3960	0.172	2	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(N[6a]C[6a]){1|O<1>,8|C<3>}	100.6890	0.000	1	100.6890	0.000	1	100.6890	0.000	1	100.3960	0.172	2	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(COO)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(COO)2{1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(C[6a]O[6a]O){4|C<3>}	100.5290	0.000	1	100.5290	0.000	1	100.5290	0.000	1	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Co<5>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	100.6640	0.000	1	100.8852	0.089	4	100.8852	0.089	4	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{1|Pd<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	100.6440	0.000	1	100.8852	0.089	4	100.8852	0.089	4	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5a]-3:C[5a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5a]C[5a]N[5a])2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5a]2)(C[6a]C[6a]H){2|H<1>,2|N<3>,5|C<3>}	101.1165	0.231	2	100.8852	0.089	4	100.8852	0.089	4	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])2{1|Pt<4>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	101.2410	0.000	1	101.2410	0.000	1	101.2410	0.000	1	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[5a,6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)2{5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[5a,6a]C[5a,6a]2){1|H<1>,1|N<3>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.5670	0.000	1	100.5670	0.000	1	100.5670	0.000	1	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){5|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.2780	0.000	1	100.2780	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(C[6a]N[6a]2){4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,2|N<2>,5|C<3>}	100.9535	0.040	2	100.9535	0.002	2	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5,6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.7857	0.128	3	100.7857	0.016	3	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[5a,6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.6720	0.000	1	100.6720	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{1|C<4>,5|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]C){1|C<4>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.6220	0.000	1	100.6220	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{10|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.3145	0.472	8	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|F<1>,4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	101.1325	0.326	2	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	100.5820	0.000	1	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,1|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.1320	0.000	1	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.4490	0.000	1	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	100.6680	0.000	1	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,7|C<3>}	100.6735	0.253	24	100.5994	0.128	38	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{2|N<2>,6|C<3>,6|H<1>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,6|C<3>}	99.3328	0.000	1	99.3328	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)2{6|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	100.3220	0.000	1	100.3220	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]N[6a])2{4|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|N<2>,6|C<3>}	100.4630	0.000	1	100.4630	0.000	1	100.5863	0.144	49	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N-3:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(NC[6a]H)(CC[5]C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CN)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.6650	0.000	1	100.6650	0.000	1	100.6650	0.000	1	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-3:P-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.4910	0.000	1	102.4910	0.000	1	102.4910	0.000	1	100.6511	0.200	58	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6]N[6])(C[6a]C[6a]2){1|Pd<4>,4|H<1>,8|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	100.3280	0.000	1	100.3280	0.000	1	100.3280	0.000	1	100.9253	0.213	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5]C[5,6a]C[6a]N[5])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	101.1243	0.285	3	101.1243	0.081	3	101.1243	0.081	3	100.9253	0.213	4	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CCo2C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)(CCo2C){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.0745	0.040	2	101.0745	0.002	2	101.0745	0.002	2	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]C){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	101.7070	0.000	1	101.7070	0.000	1	101.7070	0.000	1	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(CH3){3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	100.9770	0.000	1	100.9770	0.000	1	100.9770	0.000	1	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(SC[6a]OO){4|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]S)(C[6a]C[6a]H){2|H<1>,5|C<3>}	102.0810	0.000	1	102.0810	0.000	1	102.0810	0.000	1	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CHHS){1|Pd<4>,1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.8490	0.000	1	101.8490	0.000	1	101.4668	0.181	9	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5,6a]C[5])(CPdHH){1|N<3>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.2400	0.000	1	101.2400	0.000	1	101.4668	0.181	9	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	101.2490	0.974	2	101.4446	0.208	7	101.4668	0.181	9	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:3:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	101.5228	0.220	5	101.4446	0.208	7	101.4668	0.181	9	101.4368	0.186	14	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(CC[6a]HH)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	101.8660	0.000	1	101.8660	0.000	1	101.8660	0.000	1	101.4630	0.138	3	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5,6a]-3:C[6a,6a]-3:C[5]-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])2(C[5]C[5,6a]2H)(H){10|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[5]H){2|H<1>,8|C<3>}	101.2615	0.180	2	101.2615	0.033	2	101.2615	0.033	2	101.4630	0.138	3	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	102.1150	0.000	1	102.1150	0.000	1	101.9460	0.041	7	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CC[6a]HH)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	101.8337	0.280	3	101.8337	0.078	3	101.9460	0.041	7	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CH3)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CH){2|C<4>,5|C<3>}	102.0020	0.090	3	102.0020	0.008	3	101.9460	0.041	7	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	102.1330	0.000	1	102.1330	0.000	1	102.1750	0.004	2	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CH){5|C<3>}	102.2170	0.000	1	102.2170	0.000	1	102.1750	0.004	2	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:S-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(H){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]HS){5|C<3>}	102.6800	0.000	1	102.6800	0.000	1	102.6800	0.000	1	102.0652	0.084	10	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3180	0.000	1	101.3180	0.000	1	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.7903	0.156	6	101.7903	0.024	6	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(H){2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	101.9680	0.000	1	101.9680	0.000	1	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4975	0.180	2	101.4975	0.033	2	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.5762	2.693	4	100.5762	7.253	4	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2C[5])(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1650	0.000	1	101.1650	0.000	1	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.2005	0.086	2	102.2005	0.007	2	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6910	0.085	2	101.6910	0.007	2	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(H){2|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	99.7118	0.000	1	99.7118	0.000	1	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	100.9080	0.000	1	101.4988	0.204	4	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6957	0.271	3	101.4988	0.204	4	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CH)(C[6a]N[6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.9140	0.020	2	100.9140	0.000	2	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	101.9170	0.000	1	102.1548	0.139	53	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CHHO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1594	0.375	52	102.1548	0.139	53	101.8989	0.630	79	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:Br-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2Br)(Br){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	102.5930	0.098	2	102.5930	0.010	2	102.5930	0.010	2	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(H){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	102.0390	0.000	1	102.0390	0.000	1	102.2692	0.282	4	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(H){2|H<1>,2|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	102.6715	0.375	2	102.6715	0.141	2	102.2692	0.282	4	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(H){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	101.6950	0.000	1	101.6950	0.000	1	102.2692	0.282	4	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1330	0.000	1	102.1330	0.000	1	102.1425	0.000	2	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[6a]2F)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.1520	0.000	1	102.1520	0.000	1	102.1425	0.000	2	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC3)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.7980	0.000	2	102.7980	0.000	2	102.8607	0.062	6	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]BN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.5770	0.000	1	102.5770	0.000	1	102.8607	0.062	6	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.0130	0.404	2	103.0130	0.164	2	102.8607	0.062	6	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]OO)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.9650	0.000	1	102.9650	0.000	1	102.8607	0.062	6	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiCCN)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.0430	0.000	1	102.0430	0.000	1	102.3185	0.064	11	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	102.6680	0.000	1	102.3708	0.104	6	102.3185	0.064	11	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.3114	0.321	5	102.3708	0.104	6	102.3185	0.064	11	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[6a]C[5]C)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.2885	0.094	2	102.2885	0.009	2	102.3185	0.064	11	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiClCC)(H){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.3290	0.136	2	102.3290	0.018	2	102.3185	0.064	11	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si[4]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(Si[4]C[4]2C[5])(H){1|C<4>,6|C<3>,7|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[4]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	102.5155	0.282	2	102.5155	0.080	2	102.5155	0.080	2	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(Si[5]C[6a]C[5]2)(H){10|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si[5]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	102.3720	0.000	1	102.3720	0.000	1	102.3720	0.000	1	102.0433	0.556	107	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCl2H)(OH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CO){2|C<4>,5|C<3>}	102.2903	0.477	3	102.2903	0.228	3	102.2903	0.228	3	102.2903	0.228	3	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(CCHH)(OC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	101.9325	0.063	2	101.9325	0.004	2	101.9325	0.004	2	101.9603	0.004	3	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[5,6a]-3:C[5]-4:N[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH)	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[5,6a]N[6a])(C[5]C[5]2F)(OH){1|O<1>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]N[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|N<2>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6a]C[6a,6a]){1|C<4>,1|F<1>,1|O<1>,5|C<3>}	102.0160	0.000	1	102.0160	0.000	1	102.0160	0.000	1	101.9603	0.004	3	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.7655	0.117	2	101.7655	0.014	2	101.6517	0.014	6	101.5670	0.190	11	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(OH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.5948	0.073	4	101.5948	0.005	4	101.6517	0.014	6	101.5670	0.190	11	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2O)(OH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	101.7565	0.122	4	101.7565	0.015	4	101.4654	0.435	5	101.5670	0.190	11	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:2:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:O-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(OH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]2Fe)(OH){3|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	100.3010	0.000	1	100.3010	0.000	1	101.4654	0.435	5	101.5670	0.190	11	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCCH)(CCO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3760	0.000	1	101.3760	0.000	1	101.1903	0.097	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(COO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3090	0.075	2	101.3090	0.006	2	101.1903	0.097	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]CH)(CCC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1010	0.000	1	101.1010	0.000	1	101.1903	0.097	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCo2C)(CSiC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCo2C)(CSiC){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.6030	0.000	1	100.6030	0.000	1	101.1903	0.097	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)(CCO){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4440	0.000	1	101.4440	0.000	1	101.1903	0.097	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NNiC){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	101.4663	0.362	4	101.4663	0.131	4	101.5543	0.106	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:3:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2N)(NPtN){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	101.7305	0.206	2	101.7305	0.042	2	101.5543	0.106	6	101.3723	0.128	12	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	101.0520	0.000	1	101.0520	0.000	1	101.0520	0.000	1	101.0520	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6860	0.000	1	101.6315	0.006	2	101.5460	0.062	6	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){3|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.5770	0.000	1	101.6315	0.006	2	101.5460	0.062	6	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6850	0.000	1	101.5033	0.094	4	101.5460	0.062	6	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.7480	0.000	1	101.5033	0.094	4	101.5460	0.062	6	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2900	0.315	2	101.5033	0.094	4	101.5460	0.062	6	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5a,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[5a,6a]2)(C[5]C[5,6a]CC){2|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.8630	0.000	1	101.8630	0.000	1	101.8630	0.000	1	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]H)(C[5]C[5,6a]CC){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	101.0270	0.000	1	101.0270	0.000	1	101.0270	0.000	1	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6950	0.000	1	101.6088	0.005	4	101.6088	0.005	4	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.5260	0.000	1	101.6088	0.005	4	101.6088	0.005	4	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[5,6a]2)(C[5]C[5,6a]CC){1|C<4>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.6070	0.047	2	101.6088	0.005	4	101.6088	0.005	4	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:3:4:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[5,6a]C[6a])(CH3)2{1|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4310	0.000	1	101.4310	0.000	1	101.4310	0.000	1	101.5409	0.061	13	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){2|C<4>,5|C<3>}	101.3470	0.000	1	101.4370	0.032	8	101.4370	0.032	8	101.4370	0.032	8	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){2|C<4>,5|C<3>}	101.3623	0.171	4	101.4370	0.032	8	101.4370	0.032	8	101.4370	0.032	8	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){1|C<4>,1|S<4>,5|C<3>}	101.6490	0.107	2	101.4370	0.032	8	101.4370	0.032	8	101.4370	0.032	8	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:3:4:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]2)(CCHH)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]2)2(C[5]C[5,6a]CC){1|C<4>,6|C<3>}	101.4020	0.000	1	101.4370	0.032	8	101.4370	0.032	8	101.4370	0.032	8	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:2:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:O[6a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]O[6a])(CH3)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]CC)(O[6a]C[6a]){1|O<1>,4|C<3>}	99.0975	0.000	1	99.0975	0.000	1	99.0975	0.000	1	99.0975	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	100.9220	0.000	1	100.9220	0.000	1	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	100.6555	0.674	2	100.6555	0.454	2	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.3640	0.000	1	100.3640	0.000	1	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Au<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	101.3020	0.121	4	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|B<3>,1|H<1>,3|C<3>}	101.0590	0.000	1	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	101.2415	0.293	2	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	100.5910	0.469	3	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	101.0200	0.364	4	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	100.7512	0.455	4	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	101.0540	0.000	1	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.5915	0.578	2	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	101.1120	0.273	2	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	100.8500	0.000	1	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	101.3000	0.000	1	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	100.9521	0.224	9	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.9940	0.061	2	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	100.8058	0.376	19	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.0290	0.277	15	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Si<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	100.8900	0.000	1	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CCHH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2686	0.366	9	100.9729	0.128	80	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CCHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2333	0.075	3	101.2333	0.006	3	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CClHH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	94.2240	0.000	1	94.2240	0.000	1	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2112	0.166	6	101.2112	0.028	6	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[5]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1130	0.284	3	101.1130	0.081	3	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6]HH)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	102.0420	0.000	1	102.0420	0.000	1	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CC[5]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.9880	0.444	2	100.9880	0.197	2	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3190	0.000	1	101.3190	0.000	1	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1835	0.216	2	101.1835	0.047	2	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	100.4900	0.398	7	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	100.7030	0.031	2	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	100.8870	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.0500	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	101.4225	0.016	2	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3400	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|C<5>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.0149	0.183	7	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	101.7660	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.7800	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	100.7780	0.239	2	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	101.1690	0.103	2	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.2146	0.564	10	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	101.2110	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	100.9820	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	101.0764	0.194	8	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.1634	0.506	20	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3570	0.000	1	101.0599	0.201	68	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CH3)2{2|C<3>,2|H<1>,2|N<2>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6a]N[6a])(C[5]C[5,6a]CC)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	100.9905	0.217	2	100.9905	0.047	2	100.9868	0.426	173	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2C)(CCHH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	101.4230	0.177	2	101.4230	0.031	2	101.4247	0.016	3	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,6a]2H)(CCHH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	101.4280	0.000	1	101.4280	0.000	1	101.4247	0.016	3	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6]C[6,6a]2H)(CCCH){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	101.4950	0.000	1	101.4950	0.000	1	101.4950	0.000	1	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4260	0.426	2	101.4260	0.181	2	101.4260	0.181	2	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Ge-4:Si-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(GeC[5]CC)(SiC3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]GeSi)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.9850	0.000	1	101.9850	0.000	1	101.9850	0.000	1	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:P-4:P-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2Ir)2	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2Ir)2{2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]PP)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.6575	0.472	4	102.6575	0.223	4	102.6575	0.223	4	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:S-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SC[6a]OO)(CHHS){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	102.0770	0.000	1	102.0770	0.000	1	102.0770	0.000	1	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:C-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(CH3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]SiC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.3060	0.000	1	101.3060	0.000	1	101.3060	0.000	1	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	3:3:4:4:	3:4:3:	3:4:3:	C[5,6a]-3:C[5,6a]-3:Si-4:Si-4:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(SiC3)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(SiC[5]CC)(SiC3){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]Si2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4700	0.000	1	101.4700	0.000	1	101.4700	0.000	1	101.0524	0.474	187	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	5:SP3_SP2_SP2	C[5]	C[5,6a]	C[5,6a]	4:3:3:1:	3:4:3:	3:4:3:	C[5,5]-4:C[5,6a]-3:C[5,6a]-3:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H)	C[5](C[5,5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])2(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5,5]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	101.8640	0.000	1	101.8640	0.000	1	101.8640	0.000	1	101.8640	0.000	1	101.6097	0.938	784	101.2896	3.783	1577
474	727	727	6:SP3_SP2_SP2	C[5,4x6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,4x6]-4:C[3x6]-4:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6]-4:C[5a,6,6a]-3:C[5,6a,6a]-3:	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H)	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a])	C[5,4x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5,4x6]C[5,6,6a]2C[3x6])(C[3x6]C[6,6,6a]2H){12|C<3>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|C<4>,1|H<1>}	C[5,6,6a](C[5,4x6]C[5,6,6a]C[5,4x6]C[3x6])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6a,6a]C[5,6a,6a]C[3x6a]){10|C<3>,1|C<4>,1|H<1>}	99.4281	0.000	1	99.4281	0.000	1	99.4281	0.000	1	99.4281	0.000	1	99.4281	0.000	1	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6,6]	C[5,6,6a]	C[5a,6,6]	4:3:3:4:	4:3:3:	4:3:3:	C[5,5,6,6]-4:C[5,6,6a]-3:C[5a,6,6]-3:C[5,6]-4:	C[5,5,6,6]-4:C[5,6a,6a]-3:C[5,6,6a]-3:	C[5,5,6,6]-4:C[5a,6,6a]-3:C[5a,6,6]-3:	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H)	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])	C[5,5,6,6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,6])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6]C[5,6]C[6]H){1|O<1>,3|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6,6]C[5,5,6,6]C[5a,6,6]C[5,6])(C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	C[5a,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6])(C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	105.6960	0.000	1	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:H-1:	C[5,6,6a]-3:C[5,5,6]-4:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,5,6]C[5,6,6a]O[5,5]H)(C[6a,6a]C[5,6a,6a]C[6a]){2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[5,6,6a]H){1|C<4>,2|H<1>,3|C<3>}	105.9660	1.517	2	105.9660	2.303	2	105.9660	2.303	2	105.9660	2.303	2	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[5,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[5,6a]C[5,6a]C[5]){1|N<3>,2|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	104.7613	0.261	3	104.7613	0.068	3	104.7613	0.068	3	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[5,6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	104.5997	0.154	3	104.5997	0.024	3	104.5997	0.024	3	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	108.7890	0.281	2	108.7890	0.079	2	106.7195	5.777	4	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	104.8940	0.000	1	104.8940	0.000	1	106.7195	5.777	4	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(O[5,5]C[5,5,6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){2|H<1>,6|C<3>}	104.4060	0.000	1	104.4060	0.000	1	106.7195	5.777	4	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:2:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:O[5,5]-2:C[6a]-3:	C[5,5,6]-4:C[6a,6a]-3:C[5,6,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[6a,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,5,6]C[6a]){1|C<4>,1|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]O[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	107.9045	0.545	2	107.9045	0.297	2	107.9045	0.297	2	105.8975	3.409	12	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,5|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	107.0360	0.151	2	107.0360	0.023	2	107.6860	0.700	4	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]O)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,3|C<3>,3|H<1>}	108.3360	0.622	2	108.3360	0.387	2	107.6860	0.700	4	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Mn)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Mn)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Mn<4>,3|C<3>,3|H<1>}	105.4630	0.000	1	105.4630	0.000	1	106.8706	1.041	9	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	107.0627	0.272	4	107.0627	0.074	4	106.8706	1.041	9	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Ni)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]Ni)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<3>,3|C<3>,3|H<1>}	108.1890	0.707	2	108.1890	0.500	2	106.8706	1.041	9	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|P<3>,3|C<3>,3|H<1>}	105.8715	0.084	2	105.8715	0.007	2	106.8706	1.041	9	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]Cl)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,3|C<3>,3|H<1>}	108.7890	0.228	2	108.7890	0.052	2	108.4402	0.258	6	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	107.8265	0.313	2	107.8265	0.098	2	108.4402	0.258	6	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]N[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	108.7050	0.042	2	108.7050	0.002	2	108.4402	0.258	6	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-3:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	106.1555	0.590	2	106.1555	0.349	2	106.1555	0.349	2	107.4062	1.225	21	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,1|O<1>,9|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C[6a])(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	104.1580	0.406	2	104.1580	0.165	2	104.1580	0.165	2	104.1580	0.165	2	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:3:4:	4:3:2:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:	C[5,5,6]-4:C[5,6,6a]-3:N[6a]-2:	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a])	C[5,5,6](C[5,6,6a]C[5,6,6a]N[6a])(C[5,6,6a]C[5,6,6a]2)(C[5,5]C[5,5,6]HH)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(C[5,5,6]C[5,6,6a]C[5,5]H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]N[6a])(N[6a]C[6a,6a]){3|H<1>,4|C<3>}	104.8625	0.888	6	104.8625	0.788	6	104.8625	0.788	6	104.8625	0.788	6	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:4:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[6,6a,6a]-3:	C[6,6,6a]-3:C[5,5,6]-4:C[5,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a])	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[6,6a,6a]C[6,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	C[5,6,6a](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a]){1|Cl<1>,8|C<3>}	109.7835	0.984	2	109.7835	0.967	2	109.7835	0.967	2	109.7835	0.967	2	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,5,6])(C[5,6a,6a]C[5,6,6a]C[3x6a]){2|Cl<1>,1|C<4>,7|C<3>}	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	106.4560	0.000	1	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	106.7360	0.000	1	106.7360	0.000	1	108.2467	1.859	3	108.2467	1.859	3	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5,6]-4:Cl-1:	C[5,5,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,5,6]C[5,6,6a]2Cl)(Cl){1|C<4>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,8|C<3>}	109.0020	0.543	2	109.0020	0.295	2	108.2467	1.859	3	108.2467	1.859	3	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]HH)(H){1|O<2>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a,6a]H){4|C<3>,4|H<1>}	105.1713	0.344	4	105.1713	0.119	4	105.1713	0.119	4	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Ge[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Ge[5,5]C[5,5,6]CC)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Ge[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	107.8885	0.252	2	107.8885	0.064	2	107.8885	0.064	2	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]ClNi)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]ClNi)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|Ni<4>,3|C<3>,3|H<1>}	107.1106	0.805	16	107.1106	0.649	16	107.3087	0.690	22	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]HS)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]HS)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|S<1>,3|C<3>,4|H<1>}	108.3490	0.231	2	108.3490	0.053	2	107.3087	0.690	22	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:P[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]NiN)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(P[5,5]C[5,5,6]NiN)(H){3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]P[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Ni<6>,1|N<3>,3|C<3>,3|H<1>}	107.5807	0.732	4	107.5807	0.535	4	107.3087	0.690	22	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]C)(H){3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	105.8265	0.136	2	105.8265	0.019	2	106.7638	1.287	4	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:1:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:Si[5,5]-4:H-1:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(Si[5,5]C[5,5,6]C[6a]H)(H){3|H<1>,6|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[5,6,6a](C[5,5,6]C[5,6,6a]Si[5,5]H)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	107.7010	0.574	2	107.7010	0.330	2	106.7638	1.287	4	107.0096	1.162	32	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:3:4:4:	4:3:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,5]-4:C-4:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6a]-3:C[6a]-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(C[5,5]C[5,5,6]SnO)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H){1|Sn<4>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	105.0493	0.371	6	105.0493	0.138	6	105.0493	0.138	6	105.0493	0.138	6	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,5,6]	C[5,6,6a]	C[5,6,6a]	3:4:3:1:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:Cl-1:	C[5,6a,6a]-3:C[5,5,6]-4:C[5,6,6a]-3:	C[5,5,6]-4:C[5,5,6a]-3:C[6,6,6a]-3:	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl)	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6])	C[5,5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,5,6a]C[6,6,6a])(Cl){1|Cl<1>,1|C<4>,6|C<3>}	C[5,6,6a](C[5,6a,6a]C[5,6a,6a]C[5,6,6a])(C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){2|Cl<1>,1|C<4>,7|C<3>}	C[5,6,6a](C[5,5,6]C[5,6,6a]C[5,5,6]Cl)(C[5,5,6a]C[5,6a,6a]C[5,5,6])(C[6,6,6a]C[5,6,6a]C[5,6,6]){3|Cl<1>,1|C<4>,7|C<3>}	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	107.2130	0.000	1	106.6853	2.393	88	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C[5]-3:	C[5,6a,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5]){2|N<3>,8|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	99.4306	0.315	7	99.4306	0.099	7	99.4306	0.099	7	99.4306	0.099	7	99.4247	0.085	8	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5,6,6a]	3:3:3:3:	3:4:3:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5,6,6]C[5])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	99.3829	0.000	1	99.3829	0.000	1	99.3829	0.000	1	99.3829	0.000	1	99.4247	0.085	8	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5a,6,6]	3:3:3:2:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO){1|N<3>,2|C<4>,5|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6]){1|O<2>,8|C<3>}	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,2|O<2>,6|C<3>}	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.1260	0.000	1	108.9824	0.750	11	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5a,6,6]	3:3:3:3:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C[5]-3:	C[5a,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5a,6,6a]-3:C[5a,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2)	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[5a,6,6]C[5a,6,6a]2)(C[5]N[5]2){12|C<3>}	C[5,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5])(C[5,6a,6a]C[5,6a,6a]2){2|N<3>,8|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])2(C[5,6,6]C[5,6,6a]2C[5]){2|N<3>,8|C<3>}	109.5071	0.345	7	109.5071	0.119	7	109.5071	0.119	7	109.5071	0.119	7	108.9824	0.750	11	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5a,6,6]	3:3:3:4:	3:3:4:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C){2|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	107.3410	0.000	1	108.9824	0.750	11	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5a,6,6]	3:3:3:4:	3:4:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6a,6a]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6])	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6a,6a]C[5a,6a,6a]C[5,6a,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	107.7860	0.000	1	108.9824	0.750	11	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5,6,6a]	C[5a,6,6]	3:3:3:4:	4:3:3:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5,6,6]-4:C[5,6a,6a]-3:C[6,6,6a]-3:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CCFF){1|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]C[3x6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a]){1|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[6,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	109.0030	0.000	1	108.9824	0.750	11	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5a,6,6]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]2)(OO){1|N<3>,2|C<4>,5|C<3>}	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(C[5a,6,6]N[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){2|C<4>,2|O<2>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|O<2>,8|C<3>}	108.3800	0.000	1	108.3800	0.000	1	108.3800	0.000	1	108.0033	0.771	3	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5a,6,6]-3:N[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO){2|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|Br<1>,1|N<3>,7|C<3>}	108.6300	0.000	1	107.8150	1.328	2	107.8150	1.328	2	108.0033	0.771	3	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:2:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:O-2:	C[5a,6,6]-3:N[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO)	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6]N[5a,6,6])(OO){2|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6]C[5a,6,6]C[5,6,6])(N[5a,6,6]C[5a,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2O){1|Br<1>,1|O<2>,2|C<4>,6|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]O)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|N<3>,1|O<2>,7|C<3>}	107.0000	0.000	1	107.8150	1.328	2	107.8150	1.328	2	108.0033	0.771	3	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6,6a]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5a,6,6]C[5,6,6]C){3|C<4>,6|C<3>}	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.2580	0.000	1	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5,5,6,6]C[5a,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	108.1870	0.000	1	108.1870	0.000	1	108.0953	0.742	3	108.0953	0.742	3	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:4:	3:3:4:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6a,6a]C[5,6a,6a]2){8|C<3>}	108.0495	1.213	2	108.0495	1.471	2	108.0953	0.742	3	108.0953	0.742	3	107.8894	0.456	9	106.4291	6.484	118
474	727	727	6:SP3_SP2_SP2	C[5,6,6]	C[5a,6,6]	C[5,6,6a]	3:3:3:4:	3:3:4:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5a,6,6]-3:C-4:	C[5a,6,6a]-3:C[5a,6,6]-3:C[5,6,6]-4:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6a,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH)	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5a,6,6]C[5a,6,6a]C[5a,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C[5a,6,6](C[5a,6,6a]C[5a,6a,6a]C[5,6,6a])(C[5a,6,6]C[5a,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	C[5,6,6a](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[5,6a,6a]C[5,6a,6a]2){1|C<4>,8|C<3>}	107.7255	0.037	2	107.7255	0.001	2	107.7255	0.001	2	107.7255	0.001	2	107.8894	0.456	9	106.4291	6.484	118