206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:2:4:	3:2:4:	N[6]-3:N[6]-3:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a]-3:C[6]-2:C-4:	C[6](N[6]C[6,6a]C)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	115.3370	0.000	2	115.3370	0.000	2	115.4093	0.016	3	115.4093	0.016	3	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:2:4:	3:2:4:	N[6]-3:N[6]-3:	C[6,6a]-3:C[6]-2:C-4:	C[6,6a]-3:C[6]-2:C-4:	C[6](N[6]C[6,6a]C)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH)	C[6](N[6]C[6,6a]C)2{3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCHH){1|C<4>,1|H<1>,3|C<3>}	115.5540	0.000	1	115.5540	0.000	1	115.4093	0.016	3	115.4093	0.016	3	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:3:2:	3:2:4:	N[6]-3:N[6]-3:	C[6,6a]-3:C[6a]-3:C[6]-2:	C[6,6a]-3:C[6]-2:C-4:	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH)	C[6](N[6]C[6,6a]C[6a])(N[6]C[6,6a]C){5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6])(CCCH){1|H<1>,4|C<3>}	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	115.2450	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:C[6]-2:	C[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2{1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){4|C<3>,4|C<4>}	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:4:2:	3:3:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-2:	C[6a]-3:C[6]-3:C[6]-2:	C[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6])	C[6](N[6]C[6a]C[6])2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){4|C<3>,4|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]){3|C<3>,5|C<4>}	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:	B[6]-3:C[6]-4:C[6]-2:	B[6]-3:C[6]-4:C[6]-2:	C[6](N[6]B[6]C[6])2	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6])	C[6](N[6]B[6]C[6])2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	N[6](B[6]C[6a]N[6])(C[6]C[6]2H)(C[6]N[6]){1|B<3>,3|C<3>,3|C<4>,4|H<1>}	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	115.8247	4.869	3	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:4:2:	3:4:2:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-2:	C[6a]-3:C[6]-4:C[6]-2:	C[6](N[6]C[6a]C[6])2	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	C[6](N[6]C[6a]C[6])2{1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){2|H<1>,3|C<3>,3|C<4>}	116.5120	2.628	2	116.5120	6.904	2	116.5120	6.904	2	115.8247	4.869	3	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	3:4:2:	4:2:3:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-2:	C[6]-4:C[6]-2:P-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4100	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	4:2:4:	4:2:4:	N[6]-3:N[6]-3:	C[6]-4:C[6]-2:C-4:	C[6]-4:C[6]-2:C-4:	C[6](N[6]C[6]C)2	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH)	C[6](N[6]C[6]C)2{1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6])(CCCH){2|C<4>,2|H<1>}	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	3:3:	4:3:2:	4:3:2:	N[6]-3:N[6]-3:	C[5,6]-4:C[6a]-3:C[6]-2:	C[5,6]-4:C[6a]-3:C[6]-2:	C[6](N[6]C[5,6]C[6a])2	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6])	C[6](N[6]C[5,6]C[6a])2{2|H<1>,3|C<4>,4|C<3>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	N[6](C[5,6]C[5,5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]){3|C<3>,4|C<4>,4|H<1>}	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.5710	0.000	1	115.4173	1.217	12	115.4173	1.217	12
206	856	856	6:SP1_SP2_SP3	C[6]	N[6]	N[6]	3:3:	3:4:2:	4:2:3:	N[6]-3:N[6]-3:	C[6a]-3:C[6]-4:C[6]-2:	C[6]-4:C[6]-2:P-3:	C[6](N[6]C[6a]C[6])(N[6]C[6]P)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6])	N[6](C[6]C[6]HH)(C[6]N[6])(PCC)	C[6](N[6]C[6a]C[6])(N[6]C[6]P){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]){1|P<3>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]N[6])(PCC){1|C<3>,1|C<4>,2|H<1>}	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1
206	914	914	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	2:2:	2:2:	2:2:	N[6]-2:N[6]-2:	C[6]-2:C[6]-2:	C[6]-2:C[6]-2:	C[6](N[6]C[6])2	N[6](C[6]C[6])(C[6]N[6])	N[6](C[6]C[6])(C[6]N[6])	C[6](N[6]C[6])2{1|C<2>}	N[6](C[6]C[6])(C[6]N[6]){1|C<2>}	N[6](C[6]C[6])(C[6]N[6]){1|C<2>}	121.7550	0.000	1	121.7550	0.000	1	121.7550	0.000	1	119.2965	12.088	2	123.7903	33.029	4	123.7903	33.029	4
206	914	914	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	2:2:	2:2:	2:2:	N[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	C[6](N[6]N[6])2	N[6](C[6]N[6])(N[6]C[6])	N[6](C[6]N[6])(N[6]C[6])	C[6](N[6]N[6])2{1|C<2>}	N[6](C[6]N[6])(N[6]C[6]){1|N<2>}	N[6](C[6]N[6])(N[6]C[6]){1|N<2>}	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	119.2965	12.088	2	123.7903	33.029	4	123.7903	33.029	4
206	914	914	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6])	N[6](C[6]C[6a]N[6])(C[6]N[6])	C[6](N[6]C[6])2{1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]){3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]){3|C<3>}	126.5200	0.000	1	126.5200	0.000	1	128.2840	6.223	2	128.2840	6.223	2	123.7903	33.029	4	123.7903	33.029	4
206	914	914	6:SP1_SP2_SP2	C[6]	N[6]	N[6]	2:2:	3:2:	3:2:	N[6]-2:N[6]-2:	C[6]-3:C[6]-2:	C[6]-3:C[6]-2:	C[6](N[6]C[6])2	N[6](C[6]N[6]N)(C[6]N[6])	N[6](C[6]N[6]N)(C[6]N[6])	C[6](N[6]C[6])2{1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	N[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	130.0480	0.000	1	130.0480	0.000	1	128.2840	6.223	2	128.2840	6.223	2	123.7903	33.029	4	123.7903	33.029	4
210	3	670	0:SP1_SP2_SP2	Ge	B[5a]	Ge	3:3:	3:3:2:	3:3:2:	B[5a]-3:Ge-3:	N[5a]-3:N[5a]-3:Ge-2:	B[5a]-3:C[5]-3:Ge-2:	Ge(B[5a]N[5a]2)(GeB[5a]C[5])	B[5a](N[5a]C[5a]C[6a])2(GeGe)	Ge(B[5a]N[5a]2)(C[5]N[5]2)(GeB[5a])	Ge(B[5a]N[5a]2)(GeB[5a]C[5])	B[5a](N[5a]C[5a]C[6a])2(GeGe){2|H<1>,4|C<3>}	Ge(B[5a]N[5a]2)(C[5]N[5]2)(GeB[5a])	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1	111.5920	0.000	1
210	210	643	0:SP1_SP1_SP2	Ge	Ge	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:Ge-2:	Ge(C[6a]C[6a]2)(GeC[6a])	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]2)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a])	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]2)2(GeGe){2|H<1>,5|C<3>}	114.0770	2.087	2	114.0770	4.357	2	122.3235	92.133	4	122.3235	92.133	4	122.3235	92.133	4	122.3235	92.133	4
210	210	643	0:SP1_SP1_SP2	Ge	Ge	C[6a]	3:2:	3:2:	3:3:2:	C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:Ge-2:	Ge(C[6a]C[6a]2)(GeC[6a])	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]C)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a])	Ge(C[6a]C[6a]2)(GeC[6a])	C[6a](C[6a]C[6a]C)2(GeGe){1|C<3>,2|H<1>}	130.5700	0.153	2	130.5700	0.023	2	122.3235	92.133	4	122.3235	92.133	4	122.3235	92.133	4	122.3235	92.133	4
210	210	818	0:SP1_SP1_SP2	Ge	Ge	C[5]	3:2:	3:2:	3:3:2:	C[5]-3:Ge-2:	C[5]-3:Ge-2:	N[5]-3:N[5]-3:Ge-2:	Ge(C[5]N[5]2)(GeC[5])	Ge(C[5]N[5]2)(GeC[5])	C[5](N[5]C[6a]C[5])2(GeGe)	Ge(C[5]N[5]2)(GeC[5])	Ge(C[5]N[5]2)(GeC[5])	C[5](N[5]C[6a]C[5])2(GeGe){2|H<1>,4|C<3>}	91.9199	0.627	3	91.9199	0.393	3	91.9199	0.393	3	91.9199	0.393	3	91.9199	0.393	3	91.9199	0.393	3
210	210	956	0:SP1_SP1_SP2	Ge	Ge	N	3:2:	3:2:	3:4:2:	N-3:Ge-2:	N-3:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(GeN)	Ge(NC[6a]Si)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeGe)	Ge(NC[6a]Si)(GeN)	Ge(NC[6a]Si)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeGe)	103.4980	0.000	1	103.4980	0.000	1	103.4980	0.000	1	103.4980	0.000	1	103.4980	0.000	1	103.4980	0.000	1
210	310	310	0:SP1_SP3_SP3	Ge	Ge	Ge	4:4:	4:2:1:1:	4:2:1:1:	Ge-4:Ge-4:	C-4:Ge-2:Cl-1:Cl-1:	C-4:Ge-2:Cl-1:Cl-1:	Ge(GeCl2C)2	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(GeCl2C)2	Ge(CC[6a]HP)(GeGe)(Cl)2	Ge(CC[6a]HP)(GeGe)(Cl)2	89.4027	0.000	1	89.4027	0.000	1	89.4027	0.000	1	89.4027	0.000	1	89.4027	0.000	1	89.4027	0.000	1
210	466	956	0:SP1_SP2_SP3	Ge	C[6]	N	4:3:	4:3:2:1:	3:2:4:	C[6]-4:N-3:	C[6]-4:C[6]-3:Ge-2:H-1:	C[6a]-3:Ge-2:Si-4:	Ge(C[6]C[6]2H)(NC[6a]Si)	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H)	N(C[6a]C[6a]2)(GeC[6])(SiC3)	Ge(C[6]C[6]2H)(NC[6a]Si)	C[6](C[6]C[6]HH)(C[6]C[6]H)(GeN)(H){1|C<4>,3|H<1>}	N(C[6a]C[6a]2)(GeC[6])(SiC3)	105.2350	0.457	2	105.2350	0.209	2	105.2350	0.209	2	105.2350	0.209	2	106.1483	2.607	3	106.1483	2.607	3
210	466	956	0:SP1_SP2_SP3	Ge	C[6]	N	4:3:	4:4:2:1:	3:2:4:	C[6]-4:N-3:	C[6]-4:C[6]-4:Ge-2:H-1:	C[6a]-3:Ge-2:Si-4:	Ge(C[6]C[6]2H)(NC[6a]Si)	C[6](C[6]C[6]HH)2(GeN)(H)	N(C[6a]C[6a]2)(GeC[6])(SiC3)	Ge(C[6]C[6]2H)(NC[6a]Si)	C[6](C[6]C[6]HH)2(GeN)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(GeC[6])(SiC3)	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	106.1483	2.607	3	106.1483	2.607	3
210	474	830	0:SP1_SP-NON_SP3	Ge	C[5]	F	4:1:	3:3:3:2:	2:	C[5]-4:F-1:	C[6a]-3:N[5]-3:N[5]-3:Ge-2:	Ge-2:	Ge(C[5]C[6a]N[5]2)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(GeF)	F(GeC[5])	Ge(C[5]C[6a]N[5]2)(F)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(GeF){2|C<3>,2|F<1>,2|H<1>}	F(GeC[5])	90.0979	0.000	1	90.0979	0.000	1	90.0979	0.000	1	90.0979	0.000	1	90.0979	0.000	1	90.0979	0.000	1
210	474	956	0:SP1_SP2_SP3	Ge	C[5]	N	4:3:	4:4:2:1:	3:2:4:	C[5]-4:N-3:	C[5]-4:C[5]-4:Ge-2:H-1:	C[6a]-3:Ge-2:Si-4:	Ge(C[5]C[5]2H)(NC[6a]Si)	C[5](C[5]C[5]HH)2(GeN)(H)	N(C[6a]C[6a]2)(GeC[5])(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)	C[5](C[5]C[5]HH)2(GeN)(H){4|H<1>}	N(C[6a]C[6a]2)(GeC[5])(SiC3)	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1	110.6190	0.000	1
210	490	956	0:SP1_SP2_SP3	Ge	C	N	3:4:	4:2:1:1:	3:4:2:	N-3:C-4:	C-4:Ge-2:H-1:H-1:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(CCHH)	C(CCHH)(GeN)(H)2	N(C[6a]C[6a]2)(SiC3)(GeC)	Ge(NC[6a]Si)(CCHH)	C(CCHH)(GeN)(H)2	N(C[6a]C[6a]2)(SiC3)(GeC)	105.5690	0.000	1	105.5690	0.000	1	105.8220	0.128	2	105.8220	0.128	2	106.7770	2.800	3	106.7770	2.800	3
210	490	956	0:SP1_SP2_SP3	Ge	C	N	3:4:	4:2:1:1:	3:4:2:	N-3:C-4:	C-4:Ge-2:H-1:H-1:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(CCHH)	C(CC[6a]HH)(GeN)(H)2	N(C[6a]C[6a]2)(SiC3)(GeC)	Ge(NC[6a]Si)(CCHH)	C(CC[6a]HH)(GeN)(H)2	N(C[6a]C[6a]2)(SiC3)(GeC)	106.0750	0.000	1	106.0750	0.000	1	105.8220	0.128	2	105.8220	0.128	2	106.7770	2.800	3	106.7770	2.800	3
210	490	956	0:SP1_SP2_SP3	Ge	C	N	3:4:	4:3:2:1:	3:4:2:	N-3:C-4:	C-4:C-3:Ge-2:H-1:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(CCCH)	C(CCHH)(CCH)(GeN)(H)	N(C[6a]C[6a]2)(SiC3)(GeC)	Ge(NC[6a]Si)(CCCH)	C(CCHH)(CCH)(GeN)(H)	N(C[6a]C[6a]2)(SiC3)(GeC)	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	108.6870	0.000	1	106.7770	2.800	3	106.7770	2.800	3
210	643	643	0:SP1_SP2_SP2	Ge	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:Ge-2:	Ge(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(GeC[6a])	C[6a](C[6a]C[6a]2)2(GeC[6a])	Ge(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)2(GeC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(GeC[6a]){2|H<1>,5|C<3>}	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1	112.6360	0.000	1
210	643	670	0:SP1_SP2_SP2	Ge	C[6a]	Ge	3:3:	3:3:2:	3:2:2:	C[6a]-3:Ge-3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:Ge-2:C-2:	Ge(C[6a]C[6a]2)(GeC[6a]C)	C[6a](C[6a]C[6a]2)2(GeGe)	Ge(C[6a]C[6a]2)(GeC[6a])(CN)	Ge(C[6a]C[6a]2)(GeC[6a]C)	C[6a](C[6a]C[6a]2)2(GeGe){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(GeC[6a])(CN)	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1	102.7840	0.000	1
210	643	790	0:SP1_SP-NON_SP2	Ge	C[6a]	Cl	3:1:	3:3:2:	2:	C[6a]-3:Cl-1:	C[6a,6a]-3:C[6a,6a]-3:Ge-2:	Ge-2:	Ge(C[6a]C[6a,6a]2)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(GeCl)	Cl(GeC[6a])	Ge(C[6a]C[6a,6a]2)(Cl)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(GeCl){2|O<2>,5|C<3>}	Cl(GeC[6a])	96.4634	0.000	1	96.4634	0.000	1	96.4634	0.000	1	95.2053	3.165	2	95.2053	3.165	2	95.2053	3.165	2
210	643	790	0:SP1_SP-NON_SP2	Ge	C[6a]	Cl	3:1:	3:3:2:	2:	C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:Ge-2:	Ge-2:	Ge(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]C)2(GeCl)	Cl(GeC[6a])	Ge(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]C)2(GeCl){1|C<3>,2|H<1>}	Cl(GeC[6a])	93.9473	0.000	1	93.9473	0.000	1	93.9473	0.000	1	95.2053	3.165	2	95.2053	3.165	2	95.2053	3.165	2
210	643	893	0:SP1_SP2_SP3	Ge	C[6a]	O	3:2:	3:3:2:	4:2:	C[6a]-3:O-2:	C[6a]-3:C[6a]-3:Ge-2:	C[6]-4:Ge-2:	Ge(C[6a]C[6a]2)(OC[6])	C[6a](C[6a]C[6a]2)2(GeO)	O(C[6]C[6,6a]C[6]C)(GeC[6a])	Ge(C[6a]C[6a]2)(OC[6])	C[6a](C[6a]C[6a]2)2(GeO){2|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6]C)(GeC[6a])	93.7324	0.000	1	93.7324	0.000	1	93.7324	0.000	1	93.7324	0.000	1	93.7324	0.000	1	93.7324	0.000	1
210	643	956	0:SP1_SP2_SP3	Ge	C[6a]	N	3:3:	3:3:2:	4:2:2:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:Ge-2:	C[3x6]-4:Ge-2:Ge-2:	Ge(C[6a]C[6a]2)(NC[3x6]Ge)	C[6a](C[6a]C[6a]2)2(GeN)	N(C[3x6]C[6,6]3)(GeC[6a])2	Ge(C[6a]C[6a]2)(NC[3x6]Ge)	C[6a](C[6a]C[6a]2)2(GeN){2|H<1>,5|C<3>}	N(C[3x6]C[6,6]3)(GeC[6a])2	111.9085	9.784	2	111.9085	95.731	2	111.9085	95.731	2	111.9085	95.731	2	111.9085	95.731	2	111.9085	95.731	2
210	790	790	0:SP1_SP-NON_SP-NON	Ge	Cl	Cl	1:1:	2:	2:	Cl-1:Cl-1:	Ge-2:	Ge-2:	Ge(Cl)2	Cl(GeCl)	Cl(GeCl)	Ge(Cl)2	Cl(GeCl)	Cl(GeCl)	97.3931	2.085	9	97.3931	4.348	9	97.3931	4.348	9	97.3931	4.348	9	97.3931	4.348	9	97.3931	4.348	9
210	790	813	0:SP1_SP-NON_SP2	Ge	Cl	N[5a]	3:1:	2:	3:3:2:	N[5a]-3:Cl-1:	Ge-2:	C[5a]-3:C[5a]-3:Ge-2:	Ge(N[5a]C[5a]2)(Cl)	Cl(GeN[5a])	N[5a](C[5a]C[5a]C)2(GeCl)	Ge(N[5a]C[5a]2)(Cl)	Cl(GeN[5a])	N[5a](C[5a]C[5a]C)2(GeCl){2|H<1>}	98.4914	0.000	1	98.4914	0.000	1	98.4914	0.000	1	98.4914	0.000	1	98.4914	0.000	1	98.4914	0.000	1
210	790	818	0:SP1_SP-NON_SP2	Ge	Cl	C[5]	3:1:	2:	3:3:2:	C[5]-3:Cl-1:	Ge-2:	N[5]-3:N[5]-3:Ge-2:	Ge(C[5]N[5]2)(Cl)	Cl(GeC[5])	C[5](N[5]C[5]C)2(GeCl)	Ge(C[5]N[5]2)(Cl)	Cl(GeC[5])	C[5](N[5]C[5]C)2(GeCl){2|H<1>}	98.9701	0.000	1	98.9701	0.000	1	98.9701	0.000	1	98.9701	0.000	1	98.9701	0.000	1	98.9701	0.000	1
210	790	856	0:SP1_SP-NON_SP2	Ge	Cl	N[6]	3:1:	2:	3:3:2:	N[6]-3:Cl-1:	Ge-2:	C[6]-3:C[6]-3:Ge-2:	Ge(N[6]C[6]2)(Cl)	Cl(GeN[6])	N[6](C[6]C[6]C)2(GeCl)	Ge(N[6]C[6]2)(Cl)	Cl(GeN[6])	N[6](C[6]C[6]C)2(GeCl){1|C<3>,2|H<1>}	96.4978	0.000	1	96.4978	0.000	1	96.4978	0.000	1	96.4978	0.000	1	96.4978	0.000	1	96.4978	0.000	1
210	790	892	0:SP1_SP-NON_SP3	Ge	Cl	N	4:1:	2:	4:4:2:4:	N-4:Cl-1:	Ge-2:	C-4:C-4:Ge-2:C-4:	Ge(NC3)(Cl)	Cl(GeN)	N(CCHH)2(GeCl)(CH3)	Ge(NC3)(Cl)	Cl(GeN)	N(CCHH)2(GeCl)(CH3)	98.0383	0.000	1	98.0383	0.000	1	98.0383	0.000	1	98.0383	0.000	1	98.0383	0.000	1	98.0383	0.000	1
210	790	945	0:SP1_SP-NON_SP3	Ge	Cl	P	3:1:	2:	3:4:2:	P-3:Cl-1:	Ge-2:	C[6a]-3:C-4:Ge-2:	Ge(PC[6a]C)(Cl)	Cl(GeP)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	Ge(PC[6a]C)(Cl)	Cl(GeP)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	99.4192	0.000	1	99.4192	0.000	1	99.4192	0.000	1	99.4192	0.000	1	99.4192	0.000	1	99.4192	0.000	1
210	790	956	0:SP1_SP-NON_SP2	Ge	Cl	N	3:1:	2:	3:2:3:	N-3:Cl-1:	Ge-2:	C[6a]-3:Ge-2:B-3:	Ge(NC[6a]B)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(GeCl)(BNN)	Ge(NC[6a]B)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(GeCl)(BNN)	98.4362	0.000	1	98.4362	0.000	1	98.4362	0.000	1	98.4362	0.000	1	99.1361	0.645	5	99.1361	0.645	5
210	790	956	0:SP1_SP-NON_SP2	Ge	Cl	N	3:1:	2:	3:3:2:	N-3:Cl-1:	Ge-2:	C[6a]-3:P-3:Ge-2:	Ge(NC[6a]P)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	Ge(NC[6a]P)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	100.3550	0.000	1	100.3550	0.000	1	100.3550	0.000	1	100.3550	0.000	1	99.1361	0.645	5	99.1361	0.645	5
210	790	956	0:SP1_SP-NON_SP2	Ge	Cl	N	3:1:	2:	3:4:2:	N-3:Cl-1:	Ge-2:	B[5a]-3:Si-4:Ge-2:	Ge(NB[5a]Si)(Cl)	Cl(GeN)	N(B[5a]N[5a]2)(SiC3)(GeCl)	Ge(NB[5a]Si)(Cl)	Cl(GeN)	N(B[5a]N[5a]2)(SiC3)(GeCl)	99.5208	0.000	1	99.5208	0.000	1	99.5208	0.000	1	98.9631	0.257	3	99.1361	0.645	5	99.1361	0.645	5
210	790	956	0:SP1_SP-NON_SP2	Ge	Cl	N	3:1:	2:	3:4:2:	N-3:Cl-1:	Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(SiC3)(GeCl)	Ge(NC[6a]Si)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(SiC3)(GeCl)	98.6842	0.218	2	98.6842	0.048	2	98.6842	0.048	2	98.9631	0.257	3	99.1361	0.645	5	99.1361	0.645	5
210	790	956	0:SP1_SP-NON_SP3	Ge	Cl	N	3:1:	2:	3:3:2:	N-3:Cl-1:	Ge-2:	C[6a]-3:P-3:Ge-2:	Ge(NC[6a]P)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	Ge(NC[6a]P)(Cl)	Cl(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl)	97.9007	0.000	1	97.9007	0.000	1	97.9007	0.000	1	97.9007	0.000	1	97.9007	0.000	1	97.9007	0.000	1
210	790	992	0:SP1_SP-NON_SP3	Ge	Cl	P	4:1:	2:	3:3:3:2:	P-4:Cl-1:	Ge-2:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-2:	Ge(PC[6a]3)(Cl)	Cl(GeP)	P(C[6a]C[6a]2)3(GeCl)	Ge(PC[6a]3)(Cl)	Cl(GeP)	P(C[6a]C[6a]2)3(GeCl)	88.5897	0.000	1	88.5897	0.000	1	88.5897	0.000	1	88.5897	0.000	1	88.5897	0.000	1	88.5897	0.000	1
210	818	818	0:SP1_SP2_SP2	Ge	C[5]	C[5]	3:3:	4:3:2:	4:3:2:	C[5]-3:C[5]-3:	C[5,6]-4:N[5]-3:Ge-2:	C[5,6]-4:N[5]-3:Ge-2:	Ge(C[5]C[5,6]N[5])2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5])	Ge(C[5]C[5,6]N[5])2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5]){2|C<3>,4|C<4>,6|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeC[5]){2|C<3>,4|C<4>,6|H<1>}	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1
210	818	956	0:SP1_SP2_SP2	Ge	C[5]	N	3:3:	3:4:2:	3:4:2:	C[5]-3:N-3:	N[5]-3:C[5]-4:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(C[5]C[5]N[5])(NC[6a]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN)	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	Ge(C[5]C[5]N[5])(NC[6a]Si)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN){2|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	112.5665	10.900	2	112.5665	10.900	2
210	818	956	0:SP1_SP2_SP2	Ge	C[5]	N	3:3:	4:3:2:	3:2:4:	C[5]-3:N-3:	C[5,6]-4:N[5]-3:Ge-2:	C[6a]-3:Ge-2:Si-4:	Ge(C[5]C[5,6]N[5])(NC[6a]Si)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN)	N(C[6a]C[6a]2)(GeC[5])(SiC3)	Ge(C[5]C[5,6]N[5])(NC[6a]Si)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(GeN){2|C<3>,4|C<4>,6|H<1>}	N(C[6a]C[6a]2)(GeC[5])(SiC3)	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	114.9010	0.000	1	112.5665	10.900	2	112.5665	10.900	2
210	893	893	0:SP1_SP2_SP2	Ge	O	O	2:2:	3:2:	3:2:	O-2:O-2:	C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	Ge(OC[6a])2	O(C[6a]C[6a]2)(GeO)	O(C[6a]C[6a]2)(GeO)	Ge(OC[6a])2	O(C[6a]C[6a]2)(GeO)	O(C[6a]C[6a]2)(GeO)	92.0578	2.997	5	92.0578	8.981	5	92.0578	8.981	5	92.0578	8.981	5	92.0578	8.981	5	92.0578	8.981	5
210	893	893	0:SP1_SP3_SP3	Ge	O	O	2:2:	4:2:	4:2:	O-2:O-2:	C-4:Ge-2:	C-4:Ge-2:	Ge(OC)2	O(CC3)(GeO)	O(CC3)(GeO)	Ge(OC)2	O(CC3)(GeO)	O(CC3)(GeO)	96.5253	0.377	2	96.5253	0.142	2	96.5253	0.142	2	96.5253	0.142	2	96.5253	0.142	2	96.5253	0.142	2
210	893	956	0:SP1_SP2_SP3	Ge	O	N	2:3:	3:2:	4:4:2:	O-2:N-3:	C[6a]-3:Ge-2:	Si-4:Si-4:Ge-2:	Ge(OC[6a])(NSi2)	O(C[6a]C[6a]2)(GeN)	N(SiC3)2(GeO)	Ge(OC[6a])(NSi2)	O(C[6a]C[6a]2)(GeN)	N(SiC3)2(GeO)	95.7044	0.836	4	95.7044	0.699	4	95.7044	0.699	4	95.7044	0.699	4	96.0135	1.386	7	96.0135	1.386	7
210	893	956	0:SP1_SP2_SP3	Ge	O	N	3:2:	2:2:	3:3:2:	N-3:O-2:	Ge-2:Ge-2:	C[6a]-3:P-3:Ge-2:	Ge(NC[6a]P)(OGe)	O(GeN)2	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	Ge(NC[6a]P)(OGe)	O(GeN)2	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	94.5476	0.000	1	94.5476	0.000	1	94.5476	0.000	1	94.5476	0.000	1	96.0135	1.386	7	96.0135	1.386	7
210	893	956	0:SP1_SP2_SP3	Ge	O	N	3:2:	4:2:	3:4:2:	N-3:O-2:	C-4:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(OC)	O(CC3)(GeN)	N(C[6a]C[6a]2)(SiO3)(GeO)	Ge(NC[6a]Si)(OC)	O(CC3)(GeN)	N(C[6a]C[6a]2)(SiO3)(GeO)	97.2355	0.000	1	97.2355	0.000	1	97.3648	0.033	2	97.3648	0.033	2	96.0135	1.386	7	96.0135	1.386	7
210	893	956	0:SP1_SP2_SP3	Ge	O	N	3:2:	4:2:	3:4:2:	N-3:O-2:	C-4:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(OC)	O(CC[6a]HH)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeO)	Ge(NC[6a]Si)(OC)	O(CC[6a]HH)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeO)	97.4940	0.000	1	97.4940	0.000	1	97.3648	0.033	2	97.3648	0.033	2	96.0135	1.386	7	96.0135	1.386	7
210	893	956	0:SP1_SP3_SP3	Ge	O	N	3:2:	2:2:	3:3:2:	N-3:O-2:	Ge-2:Ge-2:	C[6a]-3:P-3:Ge-2:	Ge(NC[6a]P)(OGe)	O(GeN)2	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	Ge(NC[6a]P)(OGe)	O(GeN)2	N(C[6a]C[6a]2)(PC[6a]2)(GeO)	95.2600	0.000	1	95.2600	0.000	1	95.2600	0.000	1	95.2600	0.000	1	95.2600	0.000	1	95.2600	0.000	1
210	909	909	0:SP1_SP2_SP2	Ge	S	S	2:2:	3:2:	3:2:	S-2:S-2:	C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	Ge(SC[6a])2	S(C[6a]C[6a]2)(GeS)	S(C[6a]C[6a]2)(GeS)	Ge(SC[6a])2	S(C[6a]C[6a]2)(GeS)	S(C[6a]C[6a]2)(GeS)	88.6818	0.000	1	88.6818	0.000	1	88.6818	0.000	1	88.6818	0.000	1	88.6818	0.000	1	88.6818	0.000	1
210	909	909	0:SP1_SP3_SP3	Ge	S	S	2:2:	4:2:	4:2:	S-2:S-2:	Si[4]-4:Ge-2:	Si[4]-4:Ge-2:	Ge(SSi[4])2	S(Si[4]N[4]2S)(GeS)	S(Si[4]N[4]2S)(GeS)	Ge(SSi[4])2	S(Si[4]N[4]2S)(GeS)	S(Si[4]N[4]2S)(GeS)	100.3590	0.000	1	100.3590	0.000	1	100.3590	0.000	1	100.3590	0.000	1	100.3590	0.000	1	100.3590	0.000	1
210	921	921	0:SP1_SP3_SP3	Ge	Se	Se	2:2:	3:2:	3:2:	Se-2:Se-2:	C[6a]-3:Ge-2:	C[6a]-3:Ge-2:	Ge(SeC[6a])2	Se(C[6a]C[6a]2)(GeSe)	Se(C[6a]C[6a]2)(GeSe)	Ge(SeC[6a])2	Se(C[6a]C[6a]2)(GeSe)	Se(C[6a]C[6a]2)(GeSe)	84.7419	0.000	1	84.7419	0.000	1	84.7419	0.000	1	84.7419	0.000	1	84.7419	0.000	1	84.7419	0.000	1
210	924	924	0:SP1_SP-NON_SP-NON	Ge	Br	Br	1:1:	2:	2:	Br-1:Br-1:	Ge-2:	Ge-2:	Ge(Br)2	Br(GeBr)	Br(GeBr)	Ge(Br)2	Br(GeBr)	Br(GeBr)	100.0301	1.624	5	100.0301	2.639	5	100.0301	2.639	5	100.0301	2.639	5	100.0301	2.639	5	100.0301	2.639	5
210	924	930	0:SP1_SP-NON_SP2	Ge	Br	C	3:1:	2:	3:4:2:	C-3:Br-1:	Ge-2:	C-3:C-4:Ge-2:	Ge(CCC)(Br)	Br(GeC)	C(CC[6a]C)(CCHH)(GeBr)	Ge(CCC)(Br)	Br(GeC)	C(CC[6a]C)(CCHH)(GeBr)	99.8035	0.000	1	99.8035	0.000	1	99.8035	0.000	1	99.8035	0.000	1	99.8035	0.000	1	99.8035	0.000	1
210	924	956	0:SP1_SP-NON_SP2	Ge	Br	N	3:1:	2:	3:2:3:	N-3:Br-1:	Ge-2:	C[6a]-3:Ge-2:B-3:	Ge(NC[6a]B)(Br)	Br(GeN)	N(C[6a]C[6a]2)(GeBr)(BNN)	Ge(NC[6a]B)(Br)	Br(GeN)	N(C[6a]C[6a]2)(GeBr)(BNN)	100.2940	0.000	1	100.2940	0.000	1	100.2940	0.000	1	100.2940	0.000	1	100.2940	0.000	1	100.2940	0.000	1
210	930	956	0:SP1_SP2_SP2	Ge	C	N	3:3:	3:2:2:	3:4:2:	N-3:C-3:	C-3:Ge-2:C-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(CCC)	C(CGeSi)(GeN)(CC)	N(C[6a]C[6a]2)(SiC3)(GeC)	Ge(NC[6a]Si)(CCC)	C(CGeSi)(GeN)(CC)	N(C[6a]C[6a]2)(SiC3)(GeC)	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	110.4125	4.771	2	110.4125	4.771	2
210	930	956	0:SP1_SP2_SP2	Ge	C	N	3:3:	4:3:2:	3:4:2:	N-3:C-3:	Si-4:C-3:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(CSiC)	C(SiC3)(CGeC)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeC)	Ge(NC[6a]Si)(CSiC)	C(SiC3)(CGeC)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeC)	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	110.4125	4.771	2	110.4125	4.771	2
210	930	956	0:SP1_SP2_SP3	Ge	C	N	3:3:	3:3:2:	4:4:2:	C-3:N-3:	C-3:C[6a]-3:Ge-2:	Si-4:Si-4:Ge-2:	Ge(CC[6a]C)(NSi2)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	N(SiC3)2(GeC)	Ge(CC[6a]C)(NSi2)	C(CB[5a]C[6a])(C[6a]C[6a]2)(GeN)	N(SiC3)2(GeC)	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1	104.5080	0.000	1
210	939	939	0:SP1_SP2_SP2	Ge	Ge[5]	Ge[5]	3:3:	4:4:2:	4:4:2:	Ge[5]-3:Ge[5]-3:	C[5]-4:C[5]-4:Ge-2:	C[5]-4:C[5]-4:Ge-2:	Ge(Ge[5]C[5]2)2	Ge[5](C[5]C[5]Si2)2(GeGe[5])	Ge[5](C[5]C[5]Si2)2(GeGe[5])	Ge(Ge[5]C[5]2)2	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	Ge[5](C[5]C[5]Si2)2(GeGe[5]){4|H<1>}	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1
210	944	944	0:SP1_SP-NON_SP-NON	Ge	I	I	1:1:	2:	2:	I-1:I-1:	Ge-2:	Ge-2:	Ge(I)2	I(GeI)	I(GeI)	Ge(I)2	I(GeI)	I(GeI)	96.0714	2.085	2	96.0714	4.347	2	96.0714	4.347	2	96.0714	4.347	2	96.0714	4.347	2	96.0714	4.347	2
210	945	945	0:SP1_SP3_SP3	Ge	P	P	3:3:	3:3:2:	3:3:2:	P-3:P-3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:Ge-2:	Ge(PC[6a]2)2	P(C[6a]C[6a]2)2(GeP)	P(C[6a]C[6a]2)2(GeP)	Ge(PC[6a]2)2	P(C[6a]C[6a]2)2(GeP)	P(C[6a]C[6a]2)2(GeP)	103.9800	0.000	1	103.9800	0.000	1	103.9800	0.000	1	103.9800	0.000	1	96.7244	105.287	2	96.7244	105.287	2
210	945	945	0:SP1_SP3_SP3	Ge	P	P	3:3:	3:4:2:	3:4:2:	P-3:P-3:	C[6a]-3:C-4:Ge-2:	C[6a]-3:C-4:Ge-2:	Ge(PC[6a]C)2	P(C[6a]C[6a]2)(CSi2H)(GeP)	P(C[6a]C[6a]2)(CSi2H)(GeP)	Ge(PC[6a]C)2	P(C[6a]C[6a]2)(CSi2H)(GeP)	P(C[6a]C[6a]2)(CSi2H)(GeP)	89.4688	0.000	1	89.4688	0.000	1	89.4688	0.000	1	89.4688	0.000	1	96.7244	105.287	2	96.7244	105.287	2
210	956	956	0:SP1_SP2_SP2	Ge	N	N	3:3:	3:2:2:	3:2:2:	N-3:N-3:	C[6a]-3:Ge-2:P-2:	C[6a]-3:Ge-2:P-2:	Ge(NC[6a]P)2	N(C[6a]C[6a]2)(GeN)(PN)	N(C[6a]C[6a]2)(GeN)(PN)	Ge(NC[6a]P)2	N(C[6a]C[6a]2)(GeN)(PN)	N(C[6a]C[6a]2)(GeN)(PN)	103.0520	0.000	1	103.0520	0.000	1	103.0520	0.000	1	103.0520	0.000	1	110.5759	270.871	7	110.5759	270.871	7
210	956	956	0:SP1_SP2_SP2	Ge	N	N	3:3:	3:3:2:	3:3:2:	N-3:N-3:	C[6a]-3:As-3:Ge-2:	C[6a]-3:As-3:Ge-2:	Ge(NC[6a]As)2	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	Ge(NC[6a]As)2	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	101.2710	0.000	1	101.2710	0.000	1	101.2710	0.000	1	105.7377	15.654	3	110.5759	270.871	7	110.5759	270.871	7
210	956	956	0:SP1_SP2_SP2	Ge	N	N	3:3:	3:3:2:	3:3:2:	N-3:N-3:	C[6a]-3:P-3:Ge-2:	C[6a]-3:P-3:Ge-2:	Ge(NC[6a]P)2	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	Ge(NC[6a]P)2	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	N(C[6a]C[6a]2)(PC[6a]2)(GeN)	107.9710	1.175	2	107.9710	1.381	2	107.9710	1.381	2	105.7377	15.654	3	110.5759	270.871	7	110.5759	270.871	7
210	956	956	0:SP1_SP2_SP2	Ge	N	N	3:3:	3:3:2:	3:4:2:	N-3:N-3:	C[6a]-3:N-3:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]Ge)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeN)	Ge(NC[6a]Si)(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]Ge)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeN)	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	110.5759	270.871	7	110.5759	270.871	7
210	956	956	0:SP1_SP2_SP2	Ge	N	N	3:3:	3:4:2:	3:4:2:	N-3:N-3:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:Si-4:Ge-2:	Ge(NC[6a]Si)2	N(C[6a]C[6a]2)(SiC3)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeN)	Ge(NC[6a]Si)2	N(C[6a]C[6a]2)(SiC3)(GeN)	N(C[6a]C[6a]2)(SiC3)(GeN)	124.1995	32.692	2	124.1995	1068.745	2	124.1995	1068.745	2	124.1995	1068.745	2	110.5759	270.871	7	110.5759	270.871	7
210	996	996	0:SP1_SP3_SP3	Ge	Si[4]	Si[4]	4:4:	3:3:3:2:	3:3:3:2:	Si[4]-4:Si[4]-4:	C[6a]-3:N[4]-3:N[4]-3:Ge-2:	C[6a]-3:N[4]-3:N[4]-3:Ge-2:	Ge(Si[4]C[6a]N[4]2)2	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4])	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4])	Ge(Si[4]C[6a]N[4]2)2	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4]){1|H<1>,1|O<2>,3|C<3>}	Si[4](C[6a]C[6,6a]C[6a])(N[4]C[4]C)2(GeSi[4]){1|H<1>,1|O<2>,3|C<3>}	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1	108.2120	0.000	1
211	623	623	6:SP2_SP3_SP3	Ge[3x4,3x6a]	N[3x4,3x6a]	N[3x4,3x6a]	4:4:4:	3:3:3:4:	3:3:3:4:	N[3x4,3x6a]-4:N[3x4,3x6a]-4:N[3x4,3x6a]-4:	Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:C[3x6]-4:	Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:Ge[3x4,3x6a]-3:C[3x6]-4:	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3)	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3)	Ge[3x4,3x6a](N[3x4,3x6a]Ge[3x4,3x6a]2C[3x6])3{1|N<4>,9|C<4>}	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3){1|Ge<3>,6|C<4>,6|H<1>}	N[3x4,3x6a](Ge[3x4,3x6a]N[3x4,3x6a]2)3(C[3x6]C[6,6]3){1|Ge<3>,6|C<4>,6|H<1>}	82.4650	0.427	4	82.4650	0.183	4	82.4650	0.183	4	82.4650	0.183	4	82.4650	0.183	4	82.4650	0.183	4
217	2	643	0:SP2_SP2_SP2	N[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	N[6a]-3:O[5]-2:O[5]-2:	C[6,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](N[6a]C[6a]2)(O[5]C[5])2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](N[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	121.0440	0.000	1	121.0440	0.000	1	121.0440	0.000	1	121.6050	0.629	2	121.6050	0.629	2	121.6050	0.629	2
217	2	643	0:SP2_SP2_SP2	N[6a]	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:B[5]-3:	N[6a]-3:O[5]-2:O[5]-2:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2)	B[5](N[6a]C[6a]2)(O[5]C[5])2	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H)	N[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(B[5]O[5]2){1|H<1>,2|C<3>,2|C<4>}	B[5](N[6a]C[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	C[6a](N[6a]C[6a]B[5])(C[6a]C[6,6a]H)(H){1|H<1>,2|C<3>,2|O<2>}	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	121.6050	0.629	2	121.6050	0.629	2	121.6050	0.629	2
217	3	643	0:SP2_SP2_SP2	N[6a]	B[5a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	C[6a](N[6a]B[5a,6a]B[6,6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|N<3>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1
217	3	927	6:SP2_SP2_SP2	N[6a]	B[5a,6a]	B[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-3:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a])	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	B[5a,6a](N[5a,6a]B[6,6a]C[5a])(N[6a]B[6,6a]C[6a])(N[5a]C[6a]N[5a]){4|N<3>,5|C<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1	115.7180	0.000	1
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	119.9270	0.000	1	119.9270	0.000	1	119.3657	0.337	3	119.3657	0.337	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHH){1|O<1>,2|C<3>,2|C<4>}	118.7680	0.000	1	118.7680	0.000	1	119.3657	0.337	3	119.3657	0.337	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCHO){1|O<1>,2|C<3>,2|C<4>}	119.4020	0.000	1	119.4020	0.000	1	119.3657	0.337	3	119.3657	0.337	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|H<1>,2|C<3>,3|C<4>}	N[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	115.8140	0.000	1	115.8140	0.000	1	116.8377	0.873	3	116.8377	0.873	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	117.6440	0.000	1	117.3495	0.173	2	116.8377	0.873	3	116.8377	0.873	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	N[6a]-3:C[3]-4:C[3]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){2|C<3>,2|C<4>,2|H<1>}	N[3](N[6a]C[6a]2)(C[3]C[3]CH)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	117.0550	0.000	1	117.3495	0.173	2	116.8377	0.873	3	116.8377	0.873	3	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	4:3:4:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:N[6a]-3:C[3]-4:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CCCH){1|O<1>,2|C<3>,2|C<4>}	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:N[6a]-3:C[3]-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2)	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3]C[6a]C[3]H)(N[6a]C[6a]2)(C[3]C[3]CH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:2:4:	C[6a]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:N[6a]-3:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]N[3])(N[6a]C[6a,6a])(CF3){1|O<1>,2|C<3>,2|C<4>}	112.6180	0.000	1	112.6180	0.000	1	112.6180	0.000	1	112.6180	0.000	1	118.1609	12.917	10	118.1609	12.917	10
217	138	643	0:SP2_SP2_SP3	N[6a]	N[3]	C[6a]	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:N[3]-3:	C[3,6]-4:C[3,6]-4:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2)	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(N[3]C[3,6]2){1|C<4>,2|H<1>,3|C<3>}	N[3](C[3,6]C[3,6]C[6]H)2(N[6a]C[6a]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[3])(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	118.1609	12.917	10	118.1609	12.917	10
217	159	643	0:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:P-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(PH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Si[6a](N[6a]C[6a]2)2(PH){1|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<2>,2|C<3>,2|H<1>}	117.5830	0.000	1	117.5190	0.008	2	117.5190	0.008	2	117.5190	0.008	2	118.5637	1.833	4	118.5637	1.833	4
217	159	643	0:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:P-2:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(PH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Si[6a](N[6a]C[6a]2)2(PH){1|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,1|P<2>,2|H<1>,3|C<3>}	117.4550	0.000	1	117.5190	0.008	2	117.5190	0.008	2	117.5190	0.008	2	118.5637	1.833	4	118.5637	1.833	4
217	159	643	0:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	120.3580	0.000	1	119.6085	1.124	2	119.6085	1.124	2	119.6085	1.124	2	118.5637	1.833	4	118.5637	1.833	4
217	159	643	0:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	118.8590	0.000	1	119.6085	1.124	2	119.6085	1.124	2	119.6085	1.124	2	118.5637	1.833	4	118.5637	1.833	4
217	159	643	6:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:P-2:	N[6a]-3:C[6a]-3:C-3:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(PH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Si[6a](N[6a]C[6a]2)2(PH){1|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,1|P<2>,2|C<3>}	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	123.2900	0.000	1	123.8923	2.314	4	123.8923	2.314	4
217	159	643	6:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:2:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:P-2:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(PH)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]P)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Si[6a](N[6a]C[6a]2)2(PH){1|C<4>,6|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,1|P<2>,3|C<3>}	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	123.8923	2.314	4	123.8923	2.314	4
217	159	643	6:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	125.7610	0.000	1	123.8923	2.314	4	123.8923	2.314	4
217	159	643	6:SP2_SP2_SP2	N[6a]	Si[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Si[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N[6]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C)	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2)	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Si[6a]N[6a]N[6])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	Si[6a](N[6a]C[6a]2)2(N[6]C[6]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](N[6a]Si[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	123.8923	2.314	4	123.8923	2.314	4
217	217	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:H-1:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(H)3	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1	117.3080	0.000	1
217	217	490	0:SP2_SP3_SP3	N[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:4:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C[6a]-3:P-4:H-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1	117.0840	0.000	1
217	217	643	0:SP2_SP2_SP2	N[6a,6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O)	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	116.9600	5.267	11
217	217	643	0:SP2_SP2_SP2	N[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	113.3000	0.000	1	116.9600	5.267	11
217	217	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:C[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(N[6a]C[6a,6a])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	119.5860	0.291	4	119.5860	0.085	4	119.5860	0.085	4	119.5860	0.085	4	117.6701	3.410	9	116.9600	5.267	11
217	217	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|N<2>,1|O<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,5|C<3>}	116.2305	0.377	4	116.2305	0.142	4	116.2305	0.142	4	116.2305	0.142	4	117.6701	3.410	9	116.9600	5.267	11
217	217	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,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	117.6701	3.410	9	116.9600	5.267	11
217	217	643	6:SP2_SP2_SP2	N[6,6a,6a]	N[6,6a,6a]	C[6a,6a]	4:3:3:	4:3:3:	3:3:3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](N[6,6a,6a]B[6,6a,6a]N[6,6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|H<1>,4|C<3>}	120.7010	0.134	2	120.7010	0.018	2	120.7010	0.018	2	120.7010	0.018	2	120.7010	0.018	2	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	115.4550	0.000	1	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	112.2075	0.011	2	112.9627	1.711	3	112.9627	1.711	3	113.7650	0.921	9	113.7650	0.921	9	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	114.4730	0.000	1	112.9627	1.711	3	112.9627	1.711	3	113.7650	0.921	9	113.7650	0.921	9	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	113.7650	0.921	9	113.7650	0.921	9	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](N[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	113.4190	0.000	1	113.4190	0.000	1	113.4190	0.000	1	113.7650	0.921	9	113.7650	0.921	9	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	114.3222	0.357	4	114.3222	0.127	4	114.3222	0.127	4	113.7650	0.921	9	113.7650	0.921	9	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:H-1:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](N[6a,6a]B[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,3|C<3>}	117.5400	0.295	4	117.5400	0.087	4	117.5400	0.087	4	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	120.2695	0.039	2	120.4780	0.131	3	120.4780	0.131	3	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	120.8950	0.000	1	120.4780	0.131	3	120.4780	0.131	3	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|H<1>,6|C<3>}	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a,6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	121.5755	0.015	2	121.3493	0.154	3	121.3493	0.154	3	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	C[6a,6a]-3:N[6a,6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	120.8970	0.000	1	121.3493	0.154	3	121.3493	0.154	3	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:O-1:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(O){1|H<1>,4|C<3>}	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	119.8159	2.538	14	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	115.5980	0.000	1	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CCHH){1|O<1>,4|C<3>}	114.5285	0.009	2	114.5285	0.000	2	114.7197	0.110	3	114.7197	0.110	3	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a,6a]-3:	N[6a,6a]-3:C[6a]-3:C-4:	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2)	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(C[6a]C[6a]C){1|O<1>,5|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a,6a]C[6a]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(CH3){1|O<1>,4|C<3>}	115.1020	0.000	1	115.1020	0.000	1	114.7197	0.110	3	114.7197	0.110	3	118.7322	6.340	18	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a])	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a,6a](N[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a,6a]){1|O<1>,5|C<3>}	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O){1|O<1>,6|C<3>}	C[6a,6a](N[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,5|C<3>}	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:1:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){2|H<1>,3|C<3>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	122.3223	2.774	3	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]N[6])(O){1|H<1>,3|C<3>,3|C<4>}	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	123.5190	0.000	1	122.3223	2.774	3	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|N<3>,2|C<3>}	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	122.3223	2.774	3	117.8813	11.866	35
217	217	643	6:SP2_SP2_SP3	N[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1	123.0310	0.000	1
217	217	643	6:SP3_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]PdH){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1
217	217	811	6:SP2_SP2_SP3	N[6,6a,6a]	N[6,6a,6a]	B[6,6a,6a]	4:3:3:	4:3:3:	3:3:3:1:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	B[6,6a,6a]-4:N[6,6a,6a]-3:C[6a,6a]-3:	N[6,6a,6a]-3:N[6,6a,6a]-3:C[3x6a]-3:H-1:	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H)	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	N[6,6a,6a](B[6,6a,6a]N[6,6a,6a]C[3x6a]H)(N[6,6a,6a]B[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	B[6,6a,6a](N[6,6a,6a]N[6,6a,6a]C[6a,6a])2(C[3x6a]C[3x6a]C[6a])(H){1|B<4>,1|H<1>,8|C<3>}	112.8125	0.200	2	112.8125	0.040	2	112.8125	0.040	2	112.8125	0.040	2	112.8125	0.040	2	112.8125	0.040	2
217	217	927	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	120.7308	0.273	4	120.7308	0.075	4	120.7308	0.075	4	120.1270	0.474	8	120.1270	0.474	8	120.1270	0.474	8
217	217	927	6:SP2_SP2_SP2	N[6a,6a]	N[6a,6a]	B[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	119.5233	0.242	4	119.5233	0.058	4	119.5233	0.058	4	120.1270	0.474	8	120.1270	0.474	8	120.1270	0.474	8
217	217	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:3:1:	3:3:1:	3:	C[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)(H){1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1	118.4980	0.000	1
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:N[6,6]-3:Cl-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	113.4860	0.412	2	113.4860	0.169	2	113.4860	0.169	2	113.4860	0.169	2	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:C-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC){1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.2590	0.000	1	118.2590	0.000	1	118.2590	0.000	1	117.3717	1.068	3	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:Se-2:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6])	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6]){1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<3>,2|C<3>}	116.9280	0.977	2	116.9280	0.955	2	116.9280	0.955	2	117.3717	1.068	3	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:N-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N){1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<3>}	113.2885	2.415	2	113.2885	5.831	2	113.2885	5.831	2	115.2768	8.561	5	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:Ge[6]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	118.1805	0.540	2	118.1805	0.291	2	118.1805	0.291	2	115.2768	8.561	5	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:N[6,6]-3:N-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	115.2768	8.561	5	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:C-4:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3){1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	115.3910	0.000	1	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[5]-4:N[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H){2|Si<4>,3|H<1>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.1110	0.000	1	116.1110	0.000	1	116.1110	0.000	1	115.3200	1.251	2	115.5002	4.729	13	115.5002	4.729	13
217	278	643	0:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6a]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:Ge[6]-4:N[6]-3:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si)	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){1|Fe<5>,2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6a](N[6,6a]C[6,6a]Ge[6])(C[6a]C[6a]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	114.5290	0.000	1	114.5290	0.000	1	114.5290	0.000	1	115.3200	1.251	2	115.5002	4.729	13	115.5002	4.729	13
217	278	643	6:SP2_SP2_SP2	N[6,6,6a]	Ge[6,6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:Ge[6,6]-3:	N[6,6,6a]-3:N[6]-3:N[6]-3:	N[6,6,6a]-3:C[6a]-3:C[6]-3:	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2)	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H)	N[6,6,6a](C[6,6a]C[6a]C[6])2(Ge[6,6]N[6]2){2|Si<4>,3|C<3>,4|H<1>}	Ge[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]Si)2{6|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]Ge[6,6])(C[6a]C[6a]H)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	118.7545	11.402	2	118.7545	130.008	2	118.7545	130.008	2	118.7545	130.008	2	118.7545	130.008	2	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:1:	3:3:2:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:N[6,6]-3:Cl-1:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(Cl){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	126.1685	0.131	2	126.1685	0.017	2	126.1685	0.017	2	126.1685	0.017	2	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:C-2:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.9547	0.412	3	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:2:	3:3:3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:Se-2:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]Se){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(SeGe[6]){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Se<2>,1|N<3>,2|C<3>,2|H<1>}	122.1530	0.767	2	122.1530	0.588	2	122.1530	0.588	2	121.9547	0.412	3	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:N[6,6]-3:N-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6,6a](C[6,6a]C[6a]N[6])(Ge[6]N[6,6]N)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(NC[6a]2){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,2|N<3>}	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:N-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]N){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(NC[6a]N){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){2|C<3>,2|H<1>,2|N<3>}	124.7855	2.604	2	124.7855	6.782	2	124.7855	6.782	2	123.1707	5.802	4	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:Ge[6]-3:N[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6a]N[6])(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	121.5560	0.441	2	121.5560	0.195	2	121.5560	0.195	2	123.1707	5.802	4	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6a]-3:Ge[6]-3:	N[6,6a]-3:N[6]-3:C-4:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C)	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(Ge[6]N[6]C){2|Si<4>,2|C<3>,2|H<1>}	Ge[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6]Si)(CC3){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	123.5120	0.000	1	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:C[5]-4:N[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]C[5]N[6])(C[6a]C[6a]H){2|Si<4>,3|H<1>,4|C<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(C[5]C[5]2H)(N[6]C[6]Si){3|H<1>,6|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	123.5530	0.035	2	123.7408	4.378	13	123.0759	16.117	15
217	278	643	6:SP2_SP2_SP2	N[6,6a]	Ge[6]	C[6,6a]	3:3:3:	3:4:3:	3:3:3:	C[6,6a]-3:Ge[6]-3:C[6a]-3:	N[6,6a]-3:Ge[6]-4:N[6]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H)	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si)	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si)	N[6,6a](C[6,6a]C[6a]C[6])(Ge[6]Ge[6]N[6])(C[6a]C[6a]H){1|Fe<5>,2|Si<4>,2|C<3>,2|H<1>,2|N<3>}	Ge[6](N[6,6a]C[6,6a]C[6a])(Ge[6]N[6,6]N[6]Fe)(N[6]C[6]Si){1|Si<4>,1|H<1>,7|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(C[6]C[6]Si){1|Ge<4>,1|N<3>,2|C<3>,2|H<1>}	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	123.5530	0.035	2	123.7408	4.378	13	123.0759	16.117	15
217	371	371	6:SP2_SP2_SP2	N[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O){1|C<3>,1|N<2>}	128.4450	0.000	1	128.4450	0.000	1	128.4450	0.000	1	128.4450	0.000	1	128.4450	0.000	1	128.4450	0.000	1
217	371	466	0:SP2_SP2_SP3	N[6,6a]	N[6a]	C[6]	3:4:2:	3:3:	3:4:1:1:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	115.1630	0.000	1	115.1630	0.000	1	115.1630	0.000	1	115.1630	0.000	1	115.1630	0.000	1	115.8585	0.967	2
217	371	466	0:SP2_SP2_SP3	N[6a]	N[6a]	C[6]	4:3:2:	3:3:	3:4:2:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	116.5540	0.000	1	115.8585	0.967	2
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:3:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5,6a]-3:N[6a]-3:O[5]-2:H-1:	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H){1|H<1>,2|O<1>,4|C<3>}	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	113.3250	0.000	1	114.4750	2.085	6	114.4750	2.085	6
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	112.3890	0.000	1	112.3890	0.000	1	114.7050	2.210	5	114.7050	2.210	5	114.4750	2.085	6	114.4750	2.085	6
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	114.8690	0.000	1	114.5830	0.164	2	114.7050	2.210	5	114.7050	2.210	5	114.4750	2.085	6	114.4750	2.085	6
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	114.2970	0.000	1	114.5830	0.164	2	114.7050	2.210	5	114.7050	2.210	5	114.4750	2.085	6	114.4750	2.085	6
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	116.0370	0.000	1	115.9850	0.005	2	114.7050	2.210	5	114.7050	2.210	5	114.4750	2.085	6	114.4750	2.085	6
217	371	474	0:SP2_SP2_SP3	N[6a]	N[6a]	C[5]	4:3:2:	3:3:	3:4:2:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	115.9330	0.000	1	115.9850	0.005	2	114.7050	2.210	5	114.7050	2.210	5	114.4750	2.085	6	114.4750	2.085	6
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	2:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[6a]-3:H-1:H-1:H-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(H)3	114.2371	0.473	7	114.2371	0.223	7	114.2371	0.223	7	114.2371	0.223	7	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	2:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[6a]-3:O-2:H-1:H-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(OC)(H)2	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	2:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CClHH)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(CClHH)(H)2	114.0577	0.451	3	114.0577	0.204	3	114.0577	0.204	3	114.4865	0.871	4	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	2:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[6a]-3:Si-4:H-1:H-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(SiC3)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(SiC3)(H)2	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	114.4865	0.871	4	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	2:3:	3:4:4:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[6a]-3:C-4:C-4:H-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	B[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:H-1:H-1:H-1:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	C(N[6a]B[6a]N[6a])(H)3	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	C(N[6a]B[6a]N[6a])(H)3	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	113.5750	4.848	2	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:1:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:H-1:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(H)3	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(H)3	115.1320	0.000	1	115.1320	0.000	1	115.1320	0.000	1	113.5750	4.848	2	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:O-2:H-1:H-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	C(N[6a]C[6a]N[6a])(OC)(H)2	114.3150	0.000	1	114.3150	0.000	1	114.3390	0.001	2	114.3390	0.001	2	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:2:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:O-2:H-1:H-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(OC)(H)2	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|N<3>,2|O<1>}	C(N[6a]C[6a]N[6a])(OC)(H)2	114.3630	0.000	1	114.3630	0.000	1	114.3390	0.001	2	114.3390	0.001	2	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	114.5170	0.000	1	114.5170	0.000	1	114.5170	0.000	1	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(COO)(H)2	114.5005	0.665	4	114.6862	0.504	5	114.7813	0.386	7	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C(N[6a]C[6a]N[6a])(COO)(H)2	115.4290	0.000	1	114.6862	0.504	5	114.7813	0.386	7	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(COO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	C(N[6a]C[6a]N[6a])(COO)(H)2	115.2860	0.000	1	115.2860	0.000	1	114.7813	0.386	7	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	114.7520	0.000	1	114.7520	0.000	1	114.7813	0.386	7	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.1310	0.000	1	113.1310	0.000	1	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	115.2930	0.000	1	115.2930	0.000	1	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	114.6390	0.000	1	114.6390	0.000	1	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<1>,1|O<2>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	114.9227	0.239	3	114.7990	0.099	4	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	114.4280	0.000	1	114.7990	0.099	4	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	114.1790	0.000	1	114.1790	0.000	1	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C){1|N<2>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	113.2043	1.475	3	113.2043	2.177	3	114.1865	1.159	11	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6]-3:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	113.5780	0.000	1	113.5780	0.000	1	113.5780	0.000	1	114.3807	0.848	20	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CHHO)(H)2	113.0230	0.000	1	113.0230	0.000	1	113.9629	0.650	10	113.9629	0.650	10	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	113.8455	0.482	4	113.8455	0.232	4	113.9629	0.650	10	113.9629	0.650	10	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C(N[6a]C[6a]N[6a])(CCHH)(H)2	114.7125	0.204	2	114.7125	0.042	2	113.9629	0.650	10	113.9629	0.650	10	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	C(N[6a]C[6a]N[6a])(CHHO)(H)2	112.5590	0.000	1	112.5590	0.000	1	113.9629	0.650	10	113.9629	0.650	10	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:1:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:H-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(CCHH)(H)2	114.6200	0.467	2	114.6200	0.218	2	113.9629	0.650	10	113.9629	0.650	10	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:C-4:C-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C){1|C<3>,1|O<1>}	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	117.7900	0.000	1	114.2863	0.974	49	114.2863	0.974	49
217	371	490	0:SP2_SP2_SP3	N[6a]	N[6a]	C	3:2:4:	3:3:	3:4:4:4:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:C-4:C-4:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(CH3)3	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CH3)3	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.4100	0.000	1	114.2863	0.974	49	114.2863	0.974	49
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	113.4770	0.000	1	113.4770	0.000	1	113.7875	0.193	2	113.7875	0.193	2	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:3:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	114.0980	0.000	1	114.0980	0.000	1	113.7875	0.193	2	113.7875	0.193	2	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){5|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	113.0330	0.000	1	113.0330	0.000	1	113.0915	0.455	8	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]F)2{2|F<1>,4|C<3>}	113.8460	0.000	1	113.8460	0.000	1	113.0915	0.455	8	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	112.7626	0.542	5	112.7626	0.294	5	113.0915	0.455	8	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a](N[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	114.0400	0.000	1	114.0400	0.000	1	113.0915	0.455	8	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,5|C<3>}	113.4670	0.000	1	113.4670	0.000	1	113.5590	0.017	2	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,6|C<3>}	113.6510	0.000	1	113.6510	0.000	1	113.5590	0.017	2	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|S<2>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	111.8810	0.000	1	111.8730	0.167	3	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	111.4610	0.000	1	111.8730	0.167	3	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	112.2770	0.000	1	111.8730	0.167	3	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	112.0245	0.276	2	112.0245	0.076	2	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	113.2250	0.557	2	113.2250	0.310	2	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)2{1|O<1>,2|H<1>,3|C<3>}	113.8330	0.000	1	113.8330	0.000	1	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]F)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	112.5960	0.000	1	112.5960	0.000	1	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	112.7073	0.529	3	112.7073	0.280	3	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(C[6a]C[6a]N){1|O<1>,2|H<1>,3|C<3>}	114.0795	0.876	2	114.0795	0.768	2	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	0:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,3|C<3>}	113.9130	0.000	1	113.9130	0.000	1	112.8494	0.843	15	112.9836	0.668	25	113.0443	0.645	28	113.0443	0.645	28
217	371	643	6:SP2_SP2_SP2	N[6,6a]	N[6a]	C[6,6a]	3:4:2:	3:3:	3:3:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a])	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:2:1:	3:3:	3:3:3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]N[6a]H){1|O<1>,2|C<3>,2|H<1>}	124.6550	0.051	2	124.6550	0.003	2	124.6550	0.003	2	124.6550	0.003	2	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C){5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){7|C<3>}	124.5820	0.000	1	124.5820	0.000	1	124.5820	0.000	1	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<2>,4|C<3>}	124.2360	0.472	2	124.1326	0.088	5	124.0129	0.139	7	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>}	124.3120	0.000	1	124.1326	0.088	5	124.0129	0.139	7	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,3|H<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6,6a]H){1|N<3>,5|C<3>}	123.9395	0.036	2	124.1326	0.088	5	124.0129	0.139	7	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<2>,2|F<1>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	124.0510	0.000	1	124.0510	0.000	1	124.0129	0.139	7	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	123.3760	0.000	1	123.3760	0.000	1	124.0129	0.139	7	124.0840	0.159	8	124.1982	0.182	10	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:1:	3:3:	2:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:	N[6a]-2:N[6a]-3:O-1:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(N[6a]N[6a]H)(O){2|C<3>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:1:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O)	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6,6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|N<3>,2|C<4>}	126.7890	0.000	1	126.7890	0.000	1	126.7890	0.000	1	126.7890	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:1:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]O){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(O){4|C<3>}	125.9160	0.000	1	125.9160	0.000	1	125.9160	0.000	1	125.9160	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	2:3:3:	3:3:	3:3:4:	N[6a]-2:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3)	N[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]C){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2){1|C<4>,6|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(CH3){4|C<3>}	122.7300	0.000	1	122.7300	0.000	1	122.7300	0.000	1	122.7300	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>}	C[6a](N[6a]N[6a]H)(N[6a]C[6a])(O){2|C<3>}	125.0940	0.000	1	125.0940	0.000	1	124.9505	0.041	2	124.9505	0.041	2	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:2:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H)	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H){1|C<3>,1|O<1>,2|N<2>}	C[6a](N[6a]N[6a]H)(N[6a]N[6a])(O){1|C<3>}	124.8070	0.000	1	124.8070	0.000	1	124.9505	0.041	2	124.9505	0.041	2	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|S<2>,2|C<3>}	129.1890	0.000	1	129.1890	0.000	1	129.3483	0.906	3	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H){1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<2>,2|C<3>}	130.3700	0.000	1	130.3700	0.000	1	129.3483	0.906	3	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	128.4860	0.000	1	128.4860	0.000	1	129.3483	0.906	3	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	128.4575	0.077	4	128.4575	0.006	4	128.4575	0.006	4	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	127.2050	0.000	1	127.2050	0.000	1	127.6626	0.270	13	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	127.4985	0.059	2	127.4985	0.003	2	127.6626	0.270	13	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	128.4265	0.086	2	128.4265	0.007	2	127.6626	0.270	13	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	127.2570	0.000	1	127.2570	0.000	1	127.6626	0.270	13	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	127.6146	0.519	7	127.6146	0.270	7	127.6626	0.270	13	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	128.0210	0.000	1	128.0210	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C[6])(N[6a]N[6a]H)(O){1|H<1>,1|N<3>,2|C<3>}	128.0870	0.000	1	128.0870	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	127.4855	0.009	2	127.4855	0.000	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	127.6995	0.284	2	127.6995	0.080	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	126.7910	0.000	1	126.7450	0.004	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	126.6990	0.000	1	126.7450	0.004	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	126.7860	0.000	1	126.7860	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	127.1160	0.000	1	125.9367	1.069	3	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]F)(N[6a]N[6a]H)(O){1|C<3>,1|N<3>}	125.3470	0.228	2	125.9367	1.069	3	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]N)(N[6a]N[6a]H)(O){1|C<3>,1|F<1>}	127.7390	0.040	2	127.7390	0.002	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	C[6a](C[6a]C[6a]N[6])(N[6a]N[6a]H)(O){1|C<3>,1|F<1>,2|C<4>}	128.0130	0.000	1	128.0130	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	127.4160	0.000	1	127.4160	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|C<4>}	126.6435	0.810	2	126.6435	0.656	2	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	126.2560	0.000	1	126.2560	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a]H)(O){1|H<1>,3|C<3>}	128.8380	0.000	1	128.8380	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]H)(O){1|C<3>,1|H<1>}	127.0270	0.000	1	127.0270	0.000	1	127.1847	0.794	21	127.6187	0.918	41	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a]){1|C<3>,1|O<1>}	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:1:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:C[5a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H){1|O<2>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]O[5a])(N[6a]N[6a]H){2|H<1>,5|C<3>}	122.4540	4.585	2	122.4540	21.021	2	122.4540	21.021	2	122.4540	21.021	2	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	124.4190	0.000	1	124.4190	0.000	1	124.4190	0.000	1	125.2880	1.510	2	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.1570	0.000	1	126.1570	0.000	1	126.1570	0.000	1	125.2880	1.510	2	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:3:	3:3:	3:3:4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N){1|C<4>,1|N<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]N)(CCCH){1|N<2>,3|C<3>}	128.3650	0.000	1	128.3650	0.000	1	128.3650	0.000	1	128.3650	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	2:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	126.5716	0.331	13	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	2:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	126.9063	0.247	3	126.9063	0.061	3	126.6648	0.238	12	126.5716	0.331	13	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	2:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	126.7216	0.364	7	126.7216	0.133	7	126.6648	0.238	12	126.5716	0.331	13	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	2:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	126.7640	0.000	1	126.7640	0.000	1	126.6648	0.238	12	126.5716	0.331	13	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	2:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-2:N[6a]-3:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	N[6a](N[6a]C[5a,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	125.4440	0.000	1	125.4440	0.000	1	126.6648	0.238	12	126.5716	0.331	13	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]Br)(N[6a]C[6a]C){1|N<2>,1|N<3>,1|O<1>}	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	121.0257	0.233	3	121.0257	0.054	3	121.0257	0.054	3	121.0257	0.054	3	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	123.2970	0.000	1	123.2970	0.000	1	125.6052	1.834	6	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	126.0668	0.833	5	126.0668	0.694	5	125.6052	1.834	6	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C){1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O){3|C<3>}	124.0860	0.000	1	124.0860	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	126.4017	0.339	4	126.4017	0.115	4	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){2|C<3>}	125.4143	0.059	3	125.4143	0.003	3	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|C<3>,1|C<4>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|C<4>}	125.5370	0.665	2	125.5370	0.442	2	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	125.3965	0.077	2	125.3965	0.006	2	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	127.9060	0.000	1	127.9060	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	126.3500	0.000	1	126.3500	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	126.0400	0.000	1	126.0400	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	126.9820	0.000	1	126.9820	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	125.8490	0.000	1	125.8490	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|O<2>}	125.5800	0.162	3	125.5800	0.026	3	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|Br<1>,1|C<3>}	125.7050	0.000	1	125.7050	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	126.1890	0.000	1	126.1890	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|Cl<1>,1|C<3>}	126.8220	0.000	1	126.8220	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	125.2000	0.000	1	125.2000	0.000	1	125.8994	0.601	24	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	124.3430	0.000	1	124.3430	0.000	1	124.5460	0.082	2	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C)	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]C){1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	124.7490	0.000	1	124.7490	0.000	1	124.5460	0.082	2	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:2:4:	3:3:	3:3:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S){1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]S)(O){1|H<1>,3|C<3>}	126.9640	0.000	1	126.9640	0.000	1	126.9640	0.000	1	125.7962	0.876	33	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	2:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	N[6a]-2:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]N[6a]){1|Br<1>,1|H<1>,4|C<3>}	N[6a](N[6a]C[6a,6a])(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,1|N<2>,4|C<3>}	125.9160	0.000	1	125.9160	0.000	1	125.9160	0.000	1	125.9160	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|O<2>,3|C<3>}	126.1070	0.000	1	126.1070	0.000	1	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,1|S<2>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|S<2>,4|C<3>}	126.5670	0.000	1	127.1825	0.758	2	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|O<2>,4|C<3>}	127.7980	0.000	1	127.1825	0.758	2	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){1|N<3>,4|C<3>}	125.5425	0.175	2	125.5425	0.031	2	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	125.4670	0.407	2	125.9060	0.312	4	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|F<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	126.3620	0.000	1	125.9060	0.312	4	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){2|Cl<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(N[6a]C[6a]2){1|O<1>,6|C<3>}	C[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]C[6a]N[6a])(O){5|C<3>}	126.3280	0.000	1	125.9060	0.312	4	126.1312	0.604	9	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	126.7040	0.000	1	126.7040	0.000	1	125.6430	0.581	4	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]2){1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]N[6a])(O){1|H<1>,5|C<3>}	125.2893	0.348	3	125.2893	0.121	3	125.6430	0.581	4	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]Cl)(O){1|Cl<1>,3|C<3>}	126.5800	0.000	1	126.5800	0.000	1	126.0487	0.388	4	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]2){1|H<1>,1|O<1>,5|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	126.2265	0.176	2	126.2265	0.031	2	126.0487	0.388	4	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2){1|H<1>,1|O<1>,3|C<3>}	C[6a](N[6a]C[6a]N[6a])(C[6a]C[6a]H)(O){1|H<1>,3|C<3>}	125.1620	0.000	1	125.1620	0.000	1	126.0487	0.388	4	125.9969	0.526	17	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:2:3:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	121.1240	0.000	1	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	126.7730	0.000	1	126.7730	0.000	1	126.7730	0.000	1	124.9450	1.022	6	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.0940	0.000	1	124.0940	0.000	1	124.5637	0.365	4	124.9450	1.022	6	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	125.0590	0.334	2	124.7203	0.400	3	124.5637	0.365	4	124.9450	1.022	6	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.0430	0.000	1	124.7203	0.400	3	124.5637	0.365	4	124.9450	1.022	6	126.1283	3.875	127	125.9598	3.934	138
217	371	643	6:SP2_SP2_SP2	N[6a]	N[6a]	C[6a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	N[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	124.9450	1.022	6	126.1283	3.875	127	125.9598	3.934	138
217	371	762	0:SP2_SP2_SP2	N[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:1:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:O-1:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	113.8230	0.000	1	113.9635	0.039	2	113.9635	0.039	2	113.9635	0.039	2	114.5800	0.326	6	114.5800	0.326	6
217	371	762	0:SP2_SP2_SP2	N[6,6a]	N[6a]	C[6]	3:2:3:	3:3:	3:4:1:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6]-4:O-1:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O)	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]B[6,6a]N[6a])(C[6]C[6]HN)(O){1|O<2>,2|C<3>,2|H<1>}	114.1040	0.000	1	113.9635	0.039	2	113.9635	0.039	2	113.9635	0.039	2	114.5800	0.326	6	114.5800	0.326	6
217	371	762	0:SP2_SP2_SP2	N[6,6a]	N[6a]	C[6]	4:2:3:	3:3:	3:2:4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[6]-2:C-4:	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CCHH){1|N<3>,2|O<2>,3|C<3>}	114.8680	0.341	2	114.8680	0.116	2	114.8882	0.151	4	114.8882	0.151	4	114.5800	0.326	6	114.5800	0.326	6
217	371	762	0:SP2_SP2_SP2	N[6,6a]	N[6a]	C[6]	4:2:3:	3:3:	3:2:4:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[6]-2:C-4:	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3)	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	C[6](N[6,6a]B[6,6,6a]N[6a])(O[6]B[6,6,6a])(CH3){1|N<3>,2|O<2>,3|C<3>}	114.9085	0.578	2	114.9085	0.334	2	114.8882	0.151	4	114.8882	0.151	4	114.5800	0.326	6	114.5800	0.326	6
217	371	811	6:SP2_SP2_SP3	N[6,6a]	N[6a]	B[6,6,6a]	4:2:3:	3:3:	3:3:2:2:	B[6,6,6a]-4:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O[6,6]-2:O[6]-2:	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C)	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H)	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6])	N[6,6a](B[6,6,6a]C[6a,6a]O[6,6]O[6])(N[6a]C[6a])(C[6]O[6]C){1|B<4>,1|H<1>,3|C<3>}	N[6a](N[6,6a]B[6,6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,2|C<3>,3|O<2>}	B[6,6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6,6]B[6,6,6a])(O[6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	124.6647	1.062	4	124.6647	1.127	4	124.6647	1.127	4	124.6647	1.127	4	124.6647	1.127	4	124.6647	1.127	4
217	371	818	0:SP2_SP2_SP2	N[6a]	N[6a]	C[5]	3:2:3:	3:3:	3:3:2:	C[6a]-3:N[6a]-2:C[5]-3:	C[6a]-3:N[6a]-3:	N[6a]-3:N[5]-3:N[5]-2:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5])	C[5](N[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C[5]){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[5](N[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]){1|O<1>,2|C<3>,4|H<1>}	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1
217	371	863	0:SP2_SP2_SP2	N[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[5a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O)	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O)	O(N[6a]N[6a]2)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(N[6a]N[6a]O){1|N<2>,2|C<3>}	O(N[6a]N[6a]2)	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	115.7770	0.605	2	115.7770	0.605	2	115.7770	0.605	2
217	371	863	0:SP2_SP2_SP2	N[6a]	N[6a]	O	2:2:1:	3:3:	3:	N[6a]-2:N[6a]-2:O-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O)	O(N[6a]N[6a]2)	N[6a](N[6a]C[5a,6a])(N[6a]C[6a])(O){1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a]O){1|C<3>,1|N<2>}	O(N[6a]N[6a]2)	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	115.7770	0.605	2	115.7770	0.605	2	115.7770	0.605	2
217	371	927	6:SP2_SP2_SP2	N[6,6a]	N[6a]	B[6,6a]	3:2:3:	3:3:	3:3:2:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.0370	0.000	1	123.2855	0.124	2	123.2855	0.124	2	123.2855	0.124	2	123.2855	0.124	2	124.1914	0.970	5
217	371	927	6:SP2_SP2_SP2	N[6,6a]	N[6a]	B[6,6a]	3:2:3:	3:3:	3:3:2:	B[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](N[6,6a]B[6,6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	123.5340	0.000	1	123.2855	0.124	2	123.2855	0.124	2	123.2855	0.124	2	123.2855	0.124	2	124.1914	0.970	5
217	371	927	6:SP2_SP2_SP2	N[6a]	N[6a]	B[6a]	3:2:1:	3:3:	3:3:2:	B[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	125.6200	0.000	1	125.6200	0.000	1	125.6200	0.000	1	125.6200	0.000	1	124.7953	0.511	3	124.1914	0.970	5
217	371	927	6:SP2_SP2_SP2	N[6a]	N[6a]	B[6a]	3:2:3:	3:3:	3:3:2:	B[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	124.4070	0.000	1	124.4070	0.000	1	124.4070	0.000	1	124.4070	0.000	1	124.7953	0.511	3	124.1914	0.970	5
217	371	927	6:SP2_SP2_SP2	N[6a]	N[6a]	B[6a]	3:2:4:	3:3:	3:3:2:	B[6a]-3:N[6a]-2:C-4:	C[6a]-3:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	124.3590	0.000	1	124.3590	0.000	1	124.3590	0.000	1	124.3590	0.000	1	124.7953	0.511	3	124.1914	0.970	5
217	371	930	0:SP2_SP2_SP2	N[6a]	N[6a]	C	3:2:3:	3:3:	3:3:1:	B[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	N[6a]-3:N-3:O-1:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C)	C(N[6a]B[6a]N[6a])(NHH)(O)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>}	C(N[6a]B[6a]N[6a])(NHH)(O)	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	112.2855	1.433	2	112.2855	1.433	2
217	371	930	0:SP2_SP2_SP2	N[6a]	N[6a]	C	3:2:3:	3:3:	3:3:3:	C[6a]-3:N[6a]-2:C-3:	C[6a]-3:N[6a]-3:	N[6a]-3:N-3:N-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)	C(N[6a]C[6a]N[6a])(NCH)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CNN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(NCH)2	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	112.2855	1.433	2	112.2855	1.433	2
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H)	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](N[6a]C[6,6a])(C[6a]C[6a]O)(H){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	H(N[6a]C[6a]N[6a])	112.5620	0.000	1	112.5620	0.000	1	112.5620	0.000	1	117.1030	41.241	2	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	2:3:1:	3:3:	3:	N[6a]-2:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:	N[6a]-3:	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(H){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	117.1030	41.241	2	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	B[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H)	H(N[6a]B[6a]N[6a])	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]B[6a]H){1|O<2>,2|C<3>}	H(N[6a]B[6a]N[6a])	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a,6a]-3:N[6a]-2:H-1:	N[6a]-3:C[6a]-3:	N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H)	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(N[6a]C[6a,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(H){2|H<1>,3|C<3>}	N[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a,6a]N[6a])	117.6785	0.172	2	117.6785	0.030	2	117.6785	0.030	2	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|O<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(N[6a]C[6a]H){1|O<2>,4|C<3>}	H(N[6a]C[6a]N[6a])	118.7825	2.283	2	118.7825	5.213	2	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|S<2>}	H(N[6a]C[6a]N[6a])	111.3800	0.000	1	111.3800	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]H){1|O<1>,4|C<3>}	H(N[6a]C[6a]N[6a])	114.8380	0.000	1	114.8380	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]N[6a])	112.4970	0.000	1	112.4970	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]N[6a])	115.7883	0.040	4	115.7883	0.002	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a,6a]C)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	116.4230	0.000	1	116.4230	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	114.2095	0.910	2	114.2095	0.828	2	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	113.2690	0.771	2	113.2690	0.594	2	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(N[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	116.3460	0.000	1	116.3460	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	115.5681	1.031	7	115.5681	1.063	7	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	116.0280	0.000	1	115.2360	1.084	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	115.3425	1.262	2	115.2360	1.084	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|O<1>,3|C<3>}	H(N[6a]C[6a]N[6a])	114.2310	0.000	1	115.2360	1.084	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	111.0180	0.000	1	114.9903	7.071	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	116.1590	0.174	2	114.9903	7.071	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	116.6250	0.000	1	114.9903	7.071	4	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>}	H(N[6a]C[6a]N[6a])	112.4200	0.000	1	113.9655	4.777	2	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	115.5110	0.000	1	113.9655	4.777	2	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|F<1>,1|N<3>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	115.6440	1.896	3	114.3712	4.480	6	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|F<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	111.2370	0.000	1	114.3712	4.480	6	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(N[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>}	H(N[6a]C[6a]N[6a])	114.0290	0.544	2	114.3712	4.480	6	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	116.9210	0.000	1	114.2463	5.486	3	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>}	H(N[6a]C[6a]N[6a])	112.9090	0.492	2	114.2463	5.486	3	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(N[6a]C[6a]N[6a])	110.9240	0.000	1	110.9240	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[6a]C[6a]N[6a])	115.5510	0.000	1	115.5510	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]O)(N[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>}	H(N[6a]C[6a]N[6a])	115.9050	0.000	1	115.9050	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>}	H(N[6a]C[6a]N[6a])	118.0280	0.000	1	118.0280	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	951	0:SP2_SP-NON_SP2	N[6a]	N[6a]	H	3:2:1:	3:3:	3:	C[6a]-3:N[6a]-2:H-1:	C[6a]-3:N[6a]-3:	N[6a]-3:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H)	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H)	H(N[6a]C[6a]N[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(H){1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H){1|C<3>,1|O<1>,2|N<2>}	H(N[6a]C[6a]N[6a])	110.5820	0.000	1	110.5820	0.000	1	114.8897	4.262	46	115.0507	4.405	49	115.1312	5.215	51	115.1312	5.215	51
217	371	952	0:SP2_SP2_SP3	N[6a]	N[6a]	S	3:2:4:	3:3:	3:3:1:1:	C[6a]-3:N[6a]-2:S-4:	C[6a]-3:N[6a]-3:	N[6a]-3:C[6a]-3:O-1:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO)	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S)	S(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(SC[6a]OO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]S){1|O<1>,2|C<3>}	S(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(O)2	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1	113.9270	0.000	1
217	371	956	0:SP2_SP2_SP3	N[6a]	N[6a]	N	3:2:3:	3:3:	3:4:1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-3:	N[6a]-3:C-4:H-1:	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N)	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	N[6a](C[6a]C[5a,6a]C)(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a]N){1|C<4>,1|N<2>,3|C<3>}	N(N[6a]C[6a]N[6a])(CC[6a]HH)(H)	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1
217	417	643	0:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2){3|C<4>,8|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	111.2200	0.000	1	111.2200	0.000	1	111.2200	0.000	1	112.7247	1.930	3	112.7247	1.930	3	112.7247	1.930	3
217	417	643	0:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(NHN)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,2|N<3>}	113.9590	0.000	1	113.4770	0.465	2	113.4770	0.465	2	112.7247	1.930	3	112.7247	1.930	3	112.7247	1.930	3
217	417	643	0:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(NHN)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,2|N<3>,3|C<3>}	112.9950	0.000	1	113.4770	0.465	2	113.4770	0.465	2	112.7247	1.930	3	112.7247	1.930	3	112.7247	1.930	3
217	417	643	0:SP3_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2){3|C<4>,8|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1	114.2250	0.000	1
217	417	643	6:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2){3|C<4>,8|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,1|N<3>,3|C<3>}	127.7730	0.000	1	127.7730	0.000	1	127.7730	0.000	1	126.8430	1.730	2	126.3607	1.563	3	126.3607	1.563	3
217	417	643	6:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:C[6a]-3:C-3:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(NHN)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH)	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CHH){1|C<4>,2|C<3>,2|N<3>}	125.9130	0.000	1	125.9130	0.000	1	125.9130	0.000	1	126.8430	1.730	2	126.3607	1.563	3	126.3607	1.563	3
217	417	643	6:SP2_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:N-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(NHN)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]N)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){2|N<3>,3|C<3>}	125.3960	0.000	1	125.3960	0.000	1	125.3960	0.000	1	125.3960	0.000	1	126.3607	1.563	3	126.3607	1.563	3
217	417	643	6:SP3_SP2_SP2	N[6a]	Ge[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	Ge[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-3:N[6a]-3:C[5]-3:	N[6a]-3:C[6a]-3:C-4:	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C)	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2)	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3)	N[6a](Ge[6a]N[6a]C[5])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	Ge[6a](N[6a]C[6a]2)2(C[5]N[5]2){3|C<4>,8|C<3>}	C[6a](N[6a]Ge[6a]C[6a])(C[6a]C[6a]H)(CH3){1|N<3>,4|C<3>}	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1	124.3060	0.000	1
217	466	643	0:SP2_SP2_SP3	N[6,6,6a]	C[3x6]	C[6a]	3:4:3:	3:4:3:1:	3:3:1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	N[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	N[6,6,6a]-3:C[6a,6a]-3:O-1:	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H)	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O)	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](N[6,6,6a]C[6,6,6a]C[3x6])(C[6a,6a]C[6a,6a]C[6a])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	121.1990	0.000	1	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6,6]	C[6a]	4:3:3:	3:4:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	115.4830	0.418	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6,6]	C[6a]	4:3:3:	4:3:4:1:	3:3:1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6,6])(O){2|H<1>,3|C<3>,3|C<4>}	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	115.4830	0.418	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	N[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	N[6,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,5|H<1>,7|C<3>}	C[6a,6a](N[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|N<3>,2|H<1>,3|C<3>}	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	118.0230	0.536	2	118.0260	0.120	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	117.8400	0.000	1	118.0260	0.120	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	118.2180	0.000	1	118.0260	0.120	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	115.1510	0.496	2	115.9670	1.052	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	117.1340	0.000	1	115.9670	1.052	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	116.4320	0.000	1	115.9670	1.052	4	116.9965	1.713	8	116.9965	1.713	8	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:N[6a]-2:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:N[6a]-3:S-1:	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|S<1>,2|H<1>,2|N<3>}	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	116.1750	0.000	1	116.1750	0.000	1	116.1750	0.000	1	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a,6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	116.2047	0.602	3	116.2047	0.363	3	116.2047	0.363	3	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.7450	0.000	1	119.7450	0.000	1	120.7020	2.562	7	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.8615	1.691	6	120.8615	2.861	6	120.7020	2.562	7	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(O){1|C<4>,2|C<3>,3|H<1>}	115.9380	0.000	1	115.9380	0.000	1	116.0080	0.010	2	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	116.0780	0.000	1	116.0780	0.000	1	116.0080	0.010	2	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	116.7120	0.000	1	116.7120	0.000	1	116.5964	4.099	14	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	118.5878	1.074	6	118.5878	1.153	6	116.5964	4.099	14	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	114.6520	1.024	2	114.6520	1.048	2	116.5964	4.099	14	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	115.9250	0.000	1	115.9250	0.000	1	116.5964	4.099	14	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	114.7205	0.441	4	114.7205	0.194	4	116.5964	4.099	14	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H)	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[5a,6a]C)(H){1|C<4>,2|H<1>,3|C<3>}	117.6615	0.252	2	117.6615	0.064	2	117.6615	0.064	2	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){2|C<3>,2|C<4>,2|H<1>}	118.1830	0.000	1	118.1830	0.000	1	116.3075	1.423	6	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>,3|H<1>}	117.2900	0.000	1	117.2900	0.000	1	116.3075	1.423	6	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	115.9120	0.000	1	115.9120	0.000	1	116.3075	1.423	6	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(O){1|N<2>,2|H<1>,3|C<4>}	115.4867	0.477	3	115.4867	0.228	3	116.3075	1.423	6	117.3496	5.259	35	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C-4:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:O-2:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-3:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	116.0840	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.7100	0.000	1	119.7100	0.000	1	121.5283	0.840	13	121.1444	2.839	14	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	N[6,6a]-3:C[6a]-3:H-1:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6a](N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.6798	0.769	12	121.6798	0.591	12	121.5283	0.840	13	121.1444	2.839	14	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	116.1530	0.000	1	116.1530	0.000	1	116.1530	0.000	1	121.1444	2.839	14	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	117.1330	0.298	2	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:3:3:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O)	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6])(O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.1330	0.298	2	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	114.5520	0.000	1	114.8255	0.188	4	114.4146	0.759	21	114.4146	0.759	21	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	114.9167	0.481	3	114.8255	0.188	4	114.4146	0.759	21	114.4146	0.759	21	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|C<4>,3|H<1>}	114.3179	0.928	17	114.3179	0.861	17	114.4146	0.759	21	114.4146	0.759	21	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6,6a]	C[6]	C[6a]	3:4:3:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	N[6,6a]-3:C[6a]-3:O-1:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(O){1|C<3>,2|H<1>,3|C<4>}	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	117.1601	7.566	87	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[3x6]	C[6a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){2|H<1>,3|C<4>,4|C<3>}	118.8400	0.000	1	118.8400	0.000	1	119.4850	0.832	2	119.4850	0.832	2	119.4850	0.832	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[3x6]	C[6a,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]B[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	120.1300	0.000	1	120.1300	0.000	1	119.4850	0.832	2	119.4850	0.832	2	119.4850	0.832	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[3x6]	C[6a]	3:4:3:	4:4:4:3:	3:3:1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6a]-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2){1|C<3>,1|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[3x6]C[6a])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	116.2430	0.000	1	116.2430	0.000	1	116.2430	0.000	1	119.4235	20.231	2	119.4235	20.231	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[3x6]	C[6a]	3:4:3:	4:4:4:3:	3:3:1:	C[6a]-3:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[6a]-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O)	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2)	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a]C[6a,6a]O)(C[3x6]C[6,6]3)(C[6a]N[6a]O){2|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[6a]C[6a]2){1|C<3>,1|N<3>,2|O<1>,3|C<4>,3|H<1>}	C[6a](N[6a]C[3x6]C[6a])(N[6a]C[6a,6a]H)(O){1|O<1>,2|C<3>,3|C<4>}	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	119.4235	20.231	2	119.4235	20.231	2	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:O[6,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.5653	0.071	6	122.5653	0.005	6	122.5653	0.005	6	119.3712	11.134	12	119.3712	11.134	12	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:O[6,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[6,6]C[3x6]O[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(O[6,6]C[3x6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[6a](N[6a]C[6,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.1770	0.047	6	116.1770	0.002	6	116.1770	0.002	6	119.3712	11.134	12	119.3712	11.134	12	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C[6])(O[6]B[6]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|F<1>,2|O<1>}	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(N[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	121.4102	1.075	4	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	121.4810	1.258	3	121.4810	1.582	3	121.4810	1.582	3	121.4810	1.582	3	121.4102	1.075	4	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.8470	0.000	1	120.8470	0.000	1	120.8470	0.000	1	119.5485	3.372	2	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[6]C[6]2H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.2500	0.000	1	118.2500	0.000	1	118.2500	0.000	1	119.5485	3.372	2	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(C[6]C[6]2H){1|B<4>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	116.6020	0.000	1	116.6020	0.000	1	116.6020	0.000	1	118.2739	2.950	16	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.2937	1.316	3	119.2937	1.731	3	119.2937	1.731	3	118.2739	2.950	16	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	118.2739	2.950	16	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2736	1.564	10	118.2736	2.445	10	118.2736	2.445	10	118.2739	2.950	16	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[6a](N[6a]C[6,6a]C[6])(N[6a]C[6a]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	115.1420	0.000	1	115.1420	0.000	1	115.1420	0.000	1	118.2739	2.950	16	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H)	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|Br<1>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a]C[6])(C[6a]C[6a]Br)(C[6a]C[6a]2){1|N<2>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	119.6670	0.000	1	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	N[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2C){2|C<4>,3|C<3>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	118.6430	2.448	2	118.6430	5.993	2	118.6430	5.993	2	118.6430	5.993	2	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:2:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.3915	0.873	2	118.3915	0.763	2	118.3915	0.763	2	118.3915	0.763	2	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[6])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	119.8145	0.762	2	119.8145	0.580	2	119.8145	0.580	2	119.8145	0.580	2	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[5]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.1825	4.301	2	118.1825	18.501	2	118.2549	5.583	20	118.2549	5.583	20	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2606	2.310	16	118.2606	5.338	16	118.2549	5.583	20	118.2549	5.583	20	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	3:3:4:	4:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O)	N[6a](C[6a]C[6a,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(N[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[6])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.2810	2.738	2	118.2810	7.496	2	118.2549	5.583	20	118.2549	5.583	20	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a])	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]N[6a])(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](N[6a]N[6a]C[6])(C[6a]C[6a]S)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	116.4980	0.000	1	116.4980	0.000	1	116.4980	0.000	1	116.4980	0.000	1	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6a]-3:C[6]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,2|C<3>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	122.3500	0.000	1	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.3430	0.000	1	119.2400	0.455	4	118.9486	0.766	5	118.9486	0.766	5	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.5390	0.383	3	119.2400	0.455	4	118.9486	0.766	5	118.9486	0.766	5	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.7830	0.000	1	117.7830	0.000	1	118.9486	0.766	5	118.9486	0.766	5	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.3100	0.000	1	120.3100	0.000	1	120.4620	0.477	6	120.0721	1.462	7	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.3900	0.000	1	120.3035	0.549	4	120.4620	0.477	6	120.0721	1.462	7	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.9413	0.189	3	120.3035	0.549	4	120.4620	0.477	6	120.0721	1.462	7	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.2480	0.000	1	121.2480	0.000	1	120.4620	0.477	6	120.0721	1.462	7	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[6]-4:O[6]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	120.0721	1.462	7	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:S[6]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H)	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	120.6715	0.237	2	120.6715	0.056	2	120.6715	0.056	2	119.4375	2.091	4	118.7582	3.566	64	118.0784	7.061	176
217	466	643	0:SP2_SP2_SP3	N[6a]	C[6]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:S[6]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H)	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O)	N[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|O<2>,1|S<2>,3|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6a]C[6a]2)(S[6]S[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[6])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	118.2035	0.356	2	118.2035	0.127	2	118.2035	0.127	2	119.4375	2.091	4	118.7582	3.566	64	118.0784	7.061	176
217	466	643	6:SP2_SP2_SP3	N[6,6,6a]	C[3x6]	C[6,6,6a]	3:4:3:	3:4:3:1:	4:3:2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	N[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O)	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	N[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,3|H<1>}	C[3x6](N[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	113.1900	0.000	1	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6,6]	C[6,6a]	4:3:3:	3:4:4:1:	3:3:4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	N[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O){1|Br<1>,1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	120.8640	0.000	1	121.4545	0.697	2	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6,6]	C[6,6a]	4:3:3:	4:3:4:1:	4:3:3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6,6]-4:N[6,6a]-3:C[6]-4:H-1:	C[5,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O)	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]O){1|Si<4>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]O[5]C)(N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|O<1>,3|C<4>}	C[6,6a](C[5,6]C[5,6,6]C[5]Si)(N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	121.4545	0.697	2	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:N[6,6]-3:	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2)	N[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]N[6a]S)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|S<1>,2|H<1>,2|N<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(N[6,6]C[6]2){1|C<4>,2|N<3>,2|O<1>,2|S<1>,4|H<1>}	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]2)(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	116.5080	0.051	2	116.5080	0.003	2	115.1448	1.412	6	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6])	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	C[6,6a,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a,6a]C[5a,6a]C[6a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,3|H<1>,4|C<3>}	114.4633	0.703	4	114.4633	0.495	4	115.1448	1.412	6	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	116.6310	0.000	1	116.6310	0.000	1	117.7075	0.920	8	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	118.5530	0.000	1	117.8613	0.853	7	117.7075	0.920	8	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a,6a](C[6,6,6a]C[6,6a]N[6,6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,4|C<3>,5|H<1>}	117.7460	0.955	6	117.8613	0.853	7	117.7075	0.920	8	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	117.9580	0.000	1	117.9580	0.000	1	120.1303	2.139	4	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	120.7275	0.173	2	120.7275	0.030	2	120.1303	2.139	4	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	C[6,6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,3|C<3>,6|H<1>}	121.1080	0.000	1	121.1080	0.000	1	120.1303	2.139	4	117.5246	4.836	19	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	N[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:N[6,6a]-3:C[6,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a])	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H){1|H<1>,1|N<2>,2|C<4>,7|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,5|H<1>,7|C<3>}	C[6,6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6,6a]C[6a,6a]C[6])(C[6,6a]C[6,6]C[6a]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	120.5140	0.000	1	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,2|C<4>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(CH3)(H){3|C<3>,3|H<1>}	C[6,6a,6a](C[6,6a]C[6a]C[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.8410	0.000	1	119.8410	0.000	1	118.5038	0.534	13	118.5038	0.534	13	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6,6a]-3:C[6a,6a]-3:	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6,6a,6a](C[6,6a]C[6a]O[6])(N[6,6a]C[6a]C[6])(C[6a,6a]C[6a]2){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	118.3924	0.638	12	118.3924	0.407	12	118.5038	0.534	13	118.5038	0.534	13	118.0009	3.355	33	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	120.1260	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:2:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6,6a]HO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	121.2680	0.000	1	121.2680	0.000	1	121.2680	0.000	1	121.2680	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.4470	0.000	1	119.4470	0.000	1	120.2285	1.221	2	120.2285	1.221	2	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-3:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,2|O<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	121.0100	0.000	1	121.0100	0.000	1	120.2285	1.221	2	120.2285	1.221	2	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	119.5965	1.903	2	119.5965	3.621	2	121.3888	4.068	5	121.3888	4.068	5	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.1445	0.237	2	123.1445	0.056	2	121.3888	4.068	5	121.3888	4.068	5	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	121.4620	0.000	1	121.4620	0.000	1	121.3888	4.068	5	121.3888	4.068	5	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:3:4:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-3:C-4:H-1:	N[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	123.2392	0.195	4	123.2392	0.038	4	123.2392	0.038	4	123.2392	0.038	4	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]N[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.1222	0.823	6	119.1222	0.677	6	119.1222	0.677	6	119.1222	0.677	6	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	120.1330	0.000	1	120.1330	0.000	1	119.7295	0.326	2	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[6,6a](C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	119.3260	0.000	1	119.3260	0.000	1	119.7295	0.326	2	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:N[6,6a]-3:	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6])	N[6,6a](C[6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[5a,6]C[5a,6]N[5a])(N[6,6a]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	120.3530	0.195	2	120.3530	0.038	2	120.3530	0.038	2	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-3:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	120.5690	0.000	1	120.5690	0.000	1	120.4550	0.026	2	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	120.3410	0.000	1	120.3410	0.000	1	120.4550	0.026	2	119.9576	0.512	7	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	122.2270	1.035	2	122.2270	1.072	2	122.6737	1.134	3	122.6737	1.134	3	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	N[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	123.5670	0.000	1	123.5670	0.000	1	122.6737	1.134	3	122.6737	1.134	3	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:1:1:	3:4:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	122.7953	0.477	3	122.7953	0.228	3	122.7953	0.228	3	122.7953	0.228	3	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:2:1:	3:2:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:O-2:H-1:	N[6,6a]-3:N[6a]-2:O[6]-2:	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6])	N[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a])(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	124.8360	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:3:1:	3:2:4:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-3:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H)	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(CCHH)(H){1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6]N[5a,6]C[5a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:2:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:N[6a]-2:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a])	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(N[6a]C[6a]){2|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]N[6a]C[6])(N[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:2:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	N[6,6a]-3:N[6a]-2:N[6]-3:	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	N[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	120.5550	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	123.2630	0.000	1	123.1508	0.233	4	123.2578	0.396	21	123.2578	0.396	21	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<4>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	123.1133	0.584	3	123.1508	0.233	4	123.2578	0.396	21	123.2578	0.396	21	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:1:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<4>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	123.2829	0.669	17	123.2829	0.447	17	123.2578	0.396	21	123.2578	0.396	21	121.8806	3.129	61	120.4853	6.993	98
217	466	643	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[6,6a]	3:4:3:	3:4:4:1:	4:3:3:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHO)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	121.8806	3.129	61	120.4853	6.993	98
217	466	727	6:SP2_SP2_SP3	N[6,6a]	C[6]	C[5a,6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[5a,6a]-3:N[6,6a]-3:	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6])	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	C[5a,6,6a](C[5a,6,6a]C[5a,6a]N[6,6a])(C[5a,6a]C[5a,6a]S[5a])(N[6,6a]B[6a]C[6]){1|B<3>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	112.1770	0.280	2	112.1770	0.078	2	112.1770	0.078	2	112.1770	0.078	2	112.1770	0.078	2	112.1770	0.078	2
217	466	927	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6](N[6,6a]C[5a,6,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	126.2320	0.247	2	126.2320	0.061	2	126.2320	0.061	2	121.9668	7.799	8	121.9668	7.799	8	122.4711	7.342	10
217	466	927	0:SP2_SP2_SP3	N[6,6a]	C[6]	B[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	N[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a,6a]B[6a])(C[6]N[6,6a]HH)(H)2{1|B<3>,4|C<3>}	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	120.5450	1.097	6	120.5450	1.204	6	120.5450	1.204	6	121.9668	7.799	8	121.9668	7.799	8	122.4711	7.342	10
217	466	927	0:SP2_SP2_SP3	N[6a]	C[3x6]	B[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:N[6a]-3:Cl-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{1|Cl<1>,3|C<3>,3|C<4>,3|H<1>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl){1|H<1>,3|C<4>,4|C<3>}	125.2980	0.000	1	125.2980	0.000	1	125.2980	0.000	1	125.2980	0.000	1	124.4885	1.311	2	122.4711	7.342	10
217	466	927	0:SP2_SP2_SP3	N[6a]	C[3x6]	B[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	N[6a]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[3x6](N[6a]C[6a,6a]B[6a])(C[6,6]C[3x6]HH)3{3|C<4>,3|H<1>,4|C<3>}	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	123.6790	0.000	1	124.4885	1.311	2	122.4711	7.342	10
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.9157	0.781	3	116.9157	0.610	3	116.9000	0.408	4	116.9000	0.408	4	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	3:2:4:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	116.8530	0.000	1	116.8530	0.000	1	116.9000	0.408	4	116.9000	0.408	4	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	118.2925	1.091	2	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	117.5540	0.000	1	117.5540	0.000	1	117.5540	0.000	1	118.2925	1.091	2	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:2:1:	3:2:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	N[6,6a]-3:N[6a]-2:O-1:	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	117.6880	0.000	1	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6a]	4:3:3:	4:3:3:3:	3:3:1:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:N[6,6a]-3:O-1:	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O)	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[5,6])(O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	117.3420	0.300	2	117.3420	0.090	2	117.3420	0.090	2	117.3420	0.090	2	117.3952	0.636	9	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.8720	0.000	1	122.8720	0.000	1	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	124.9160	0.000	1	124.9160	0.000	1	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.2290	0.000	1	122.2290	0.000	1	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	123.3040	0.000	1	123.3040	0.000	1	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.2130	0.000	1	121.9195	0.998	2	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.6260	0.000	1	121.9195	0.998	2	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.7190	0.201	2	122.7190	0.040	2	122.8247	1.094	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,6]H)(O[5,6]C[5,5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.2950	0.000	1	115.2950	0.000	1	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	114.6500	0.000	1	114.6500	0.000	1	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.5440	0.000	1	116.5440	0.000	1	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.5240	0.000	1	115.9873	0.739	3	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.4420	0.000	1	115.9873	0.739	3	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	114.9960	0.000	1	115.9873	0.739	3	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5,6]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5,6]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O)	N[6a](C[5,6]C[5,5,6]O[5,6]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]N[5,5a,6]C[5,5]H)(O[5,6]C[5,5,6])(N[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5,6]C[6a])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.4110	0.369	2	115.4110	0.136	2	115.6591	0.571	8	119.2419	14.469	16	119.2419	14.469	16	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	118.7690	0.199	2	119.2860	0.822	3	120.1055	3.234	4	120.1055	3.234	4	120.5032	3.123	6	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	120.3200	0.000	1	119.2860	0.822	3	120.1055	3.234	4	120.1055	3.234	4	120.5032	3.123	6	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	122.5640	0.000	1	122.5640	0.000	1	120.1055	3.234	4	120.1055	3.234	4	120.5032	3.123	6	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	121.2985	4.013	2	120.5032	3.123	6	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	121.2985	4.013	2	120.5032	3.123	6	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	124.7435	0.545	2	124.7435	0.297	2	124.7435	0.297	2	124.7435	0.297	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|F<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	120.3330	0.000	1	120.3330	0.000	1	120.3330	0.000	1	119.5075	1.363	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){2|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,1|N<3>,1|O<1>,2|F<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	119.5075	1.363	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)2(C[5]C[5]2H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)2(H){2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[5])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	118.0970	0.731	2	118.0970	0.535	2	118.0970	0.535	2	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	121.8110	0.000	1	121.8110	0.000	1	121.1250	1.397	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	121.8040	0.000	1	121.8040	0.000	1	121.1250	1.397	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	119.7600	0.000	1	119.7600	0.000	1	121.1250	1.397	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.0160	0.000	1	118.0160	0.000	1	118.2843	1.219	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.3390	0.000	1	117.3390	0.000	1	118.2843	1.219	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.4980	0.000	1	119.4980	0.000	1	118.2843	1.219	3	119.3028	3.107	8	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:C-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	122.9290	0.000	1	122.9290	0.000	1	122.9290	0.000	1	119.0160	30.623	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	3:4:4:3:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-4:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[5]C[5]2C){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	119.0160	30.623	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:2:4:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[6a]-3:C[5]-3:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(CCHO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	123.3300	0.543	2	123.3300	0.295	2	123.3300	0.295	2	123.3300	0.295	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:3:4:	4:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C[5]-4:	C[5]-4:N[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(C[5]C[5]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(C[5]O[5]O)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	115.1835	0.534	2	115.1835	0.285	2	115.1835	0.285	2	115.1835	0.285	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.6410	0.000	1	118.9065	1.079	2	118.9065	1.079	2	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	118.1720	0.000	1	118.9065	1.079	2	118.9065	1.079	2	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	121.1795	0.050	2	121.1563	0.003	3	121.1563	0.003	3	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	121.1100	0.000	1	121.1563	0.003	3	121.1563	0.003	3	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[5a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	117.5565	0.317	2	117.5565	0.101	2	117.2687	0.299	3	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:2:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	116.6930	0.000	1	116.6930	0.000	1	117.2687	0.299	3	119.1933	2.846	10	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	119.3460	0.000	1	118.0933	1.231	3	118.0933	1.231	3	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	117.4670	0.330	2	118.0933	1.231	3	118.0933	1.231	3	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a,6a]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	118.0960	0.000	1	118.0960	0.000	1	116.6707	1.639	3	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,4|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	115.6180	0.000	1	115.6180	0.000	1	116.6707	1.639	3	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<4>,3|C<3>,3|H<1>}	C[5](N[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	116.2980	0.000	1	116.2980	0.000	1	116.6707	1.639	3	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[5a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|O<2>}	119.1950	0.242	2	119.1950	0.058	2	119.1950	0.058	2	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[6a]C[6a,6a]H)(C[5]C[5]O[5]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	121.6550	0.000	1	121.6550	0.000	1	121.6550	0.000	1	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	122.5890	0.000	1	121.7120	1.538	2	121.7120	1.538	2	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.8350	0.000	1	121.7120	1.538	2	121.7120	1.538	2	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	116.0560	0.000	1	116.0560	0.000	1	115.1595	1.607	2	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	3:4:3:	3:4:2:1:	3:3:1:	C[6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[6a](C[6a]N[5a,6a]O)(C[5]C[5]O[5]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.2630	0.000	1	114.2630	0.000	1	115.1595	1.607	2	118.3138	6.075	13	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	C[5,6a]-3:N[6a]-3:O[5]-2:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a])	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O)	N[6a](C[5]C[5,6a]O[5]H)(C[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[6a]C[6a]N[6a])(O[5]C[5])(H){1|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:2:3:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.8210	0.000	1	120.3475	0.554	2	119.4195	1.465	4	119.4195	1.465	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	120.8740	0.000	1	120.3475	0.554	2	119.4195	1.465	4	119.4195	1.465	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.0460	0.000	1	118.0460	0.000	1	119.4195	1.465	4	119.4195	1.465	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:2:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:N[6a]-2:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a])	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]O)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]N[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]N[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	118.9370	0.000	1	118.9370	0.000	1	119.4195	1.465	4	119.4195	1.465	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	119.6520	0.438	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	119.6520	0.438	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	119.6520	0.438	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-3:Se[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[5](N[6a]C[6a]2)(C[5]C[5]H)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|O<1>,2|C<3>,2|H<1>}	119.5190	0.000	1	119.5190	0.000	1	119.5190	0.000	1	119.6520	0.438	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	118.7820	0.000	1	118.7820	0.000	1	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.2510	0.000	1	117.2510	0.000	1	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.9475	1.047	2	117.9475	1.097	2	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.6533	1.317	6	118.1988	2.036	12	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.6972	1.469	4	118.1988	2.036	12	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	118.8385	1.911	2	118.1988	2.036	12	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.1103	0.196	3	118.2120	4.880	4	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	121.5170	0.000	1	118.2120	4.880	4	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.8380	0.000	1	117.8380	0.000	1	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.6017	1.865	4	117.8826	2.631	13	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	117.1186	0.712	9	117.8826	2.631	13	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]N[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<4>,1|O<1>,1|O<2>,2|N<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	118.0960	0.000	1	118.0960	0.000	1	118.0449	2.108	35	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>}	119.4660	0.000	1	119.4660	0.000	1	119.4660	0.000	1	118.1915	2.471	37	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:2:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:2:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.7580	0.000	1	123.7580	0.000	1	123.7580	0.000	1	123.7580	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C[5])(H){1|Fe<10>,1|H<1>,1|N<3>,1|O<2>,2|O<1>,3|C<4>}	121.5455	0.327	2	121.5455	0.107	2	121.0185	0.603	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C[5])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>,2|O<2>}	120.4915	0.769	2	120.4915	0.591	2	121.0185	0.603	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	118.3700	0.204	2	118.3700	0.041	2	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	118.2210	0.000	1	118.2210	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.1180	0.000	1	120.1180	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.4300	0.000	1	119.4300	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.1947	0.452	3	122.1947	0.205	3	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.9073	0.805	4	121.9073	0.648	4	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<2>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	122.0330	0.000	1	120.2026	1.166	5	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.8560	0.000	1	120.2026	1.166	5	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.0660	0.000	1	120.2026	1.166	5	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.5290	0.518	2	120.2026	1.166	5	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.5165	1.331	2	121.5165	1.773	2	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>}	121.2382	1.482	4	121.2382	2.195	4	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]Br)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.4670	0.000	1	121.4670	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.2177	1.353	6	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.9730	1.788	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.6265	2.063	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.3263	0.312	3	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.2080	0.000	1	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.2139	1.206	16	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.9770	2.073	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.5200	0.219	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.1680	0.854	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.0075	0.104	2	120.5647	1.692	38	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.0390	0.644	5	121.0390	0.414	5	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.2965	1.700	4	120.4809	1.652	8	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.9650	0.000	1	120.4809	1.652	8	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.8987	0.992	3	120.4809	1.652	8	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.0815	0.243	2	122.0815	0.059	2	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.7800	0.752	2	120.0163	0.791	6	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.4383	1.028	3	120.0163	0.791	6	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.2230	0.000	1	120.0163	0.791	6	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	122.4847	0.278	3	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	117.9070	0.000	1	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.0845	0.087	2	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.2900	1.205	4	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.8070	0.652	3	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.7580	0.000	1	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.1890	0.000	1	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.3820	0.000	1	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.5160	1.175	2	121.0262	2.334	18	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.4530	0.000	1	121.4530	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	121.1310	0.000	1	121.1310	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]I)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.7350	1.467	2	120.7350	2.151	2	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|F<1>,1|S<2>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	119.4470	1.206	4	119.4470	1.454	4	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]S[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	122.3439	0.791	9	122.3439	0.626	9	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>}	118.4060	0.000	1	118.4060	0.000	1	120.7879	1.933	119	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	115.8365	0.045	2	115.8365	0.002	2	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	113.7340	0.000	1	113.7340	0.000	1	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CF)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.2950	0.000	1	118.2950	0.000	1	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.7410	0.000	1	118.7410	0.000	1	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.3157	0.210	3	116.3157	0.044	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.6300	0.000	1	117.7631	1.543	8	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.6540	0.000	1	117.7631	1.543	8	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.9930	0.245	2	117.7631	1.543	8	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]FH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.7087	0.759	4	117.7631	1.543	8	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.1387	0.257	3	118.1387	0.066	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.5800	0.000	1	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.2295	1.290	2	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.6404	0.436	5	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.0780	0.000	1	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.6620	0.878	3	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.4820	0.000	1	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.0677	1.184	18	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.4160	2.326	2	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.3005	0.834	2	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.7125	0.323	2	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.3930	1.834	6	117.7028	1.373	43	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HN)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.5145	0.467	2	116.5145	0.218	2	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.9970	0.000	1	116.3733	2.045	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.5615	0.367	2	116.3733	2.045	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.3340	0.106	2	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.1972	0.813	4	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.4540	0.772	3	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.8720	0.000	1	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.7720	0.000	1	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.7435	0.654	2	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.7280	0.897	3	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.5690	0.720	3	117.9390	1.033	19	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.1230	0.000	1	117.5307	0.479	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|I<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]O[5]CH)(O[5]C[5])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.7345	0.842	2	117.5307	0.479	3	117.5811	1.489	89	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](C[6a]C[3x6]C[6a])(N[6a]C[6a]C[5])(H){1|H<1>,1|N<3>,1|S<2>,2|O<1>,4|C<4>}	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	122.1600	0.000	2	122.1600	0.000	2	121.8893	2.652	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|O<1>}	123.5760	0.000	1	123.5760	0.000	1	121.8893	2.652	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(S[5]C[5])(H){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>}	119.6610	0.000	1	119.6610	0.000	1	121.8893	2.652	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,3|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	115.7300	0.000	2	115.6027	0.049	3	115.4970	0.077	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,2|F<1>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	115.3480	0.000	1	115.6027	0.049	3	115.4970	0.077	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	115.1800	0.000	1	115.1800	0.000	1	115.4970	0.077	4	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.5230	0.000	1	122.5230	0.000	1	122.3510	0.060	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.4600	0.000	1	122.4600	0.000	1	122.3510	0.060	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Se<2>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	122.0700	0.000	1	122.0700	0.000	1	122.3510	0.060	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[6a]C[6a]2)(C[5]C[5]CO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.6980	0.000	1	116.6980	0.000	1	116.5617	0.242	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.0160	0.000	1	116.0160	0.000	1	116.5617	0.242	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:Se[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]Se[5]C[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(Se[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|Se<2>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	116.9710	0.000	1	116.9710	0.000	1	116.5617	0.242	3	119.4403	4.698	227	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.8730	0.525	2	120.8730	0.275	2	121.8102	1.399	6	121.8102	1.399	6	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.4110	0.016	2	122.4110	0.000	2	121.8102	1.399	6	121.8102	1.399	6	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	123.5630	0.000	1	123.5630	0.000	1	121.8102	1.399	6	121.8102	1.399	6	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:1:	3:3:4:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	N[6a]-3:C[6a]-3:C-4:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.7300	0.000	1	120.7300	0.000	1	121.8102	1.399	6	121.8102	1.399	6	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:C-4:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|C<4>}	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:2:4:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-2:C-4:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]S[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>,2|F<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]FF)(S[5]C[5])(CHHO){1|C<3>,1|N<2>,1|O<1>,5|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<4>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a,6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O)	N[6a](C[5]N[5,5]C[5]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	116.1540	0.000	1	116.1540	0.000	1	116.1540	0.000	1	118.3194	3.190	5	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<1>,2|H<1>}	119.2730	0.000	1	119.2730	0.000	1	119.2730	0.000	1	118.3194	3.190	5	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[5,6]-3:Si[5]-4:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O)	N[6a](C[5]N[5,6]Si[5]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(Si[5]O[5]CC)(N[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(O){1|Si<4>,1|C<3>,1|N<3>,3|H<1>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	118.3194	3.190	5	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|S<3>,2|O<1>}	120.8320	0.000	1	120.8320	0.000	1	120.8320	0.000	1	118.3194	3.190	5	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	N[6a]-3:C[5]-4:S[5]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]S[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[6a]C[6a]2)(C[5]C[5]HH)(S[5]C[5]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|S<3>,2|H<1>}	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	118.3194	3.190	5	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:2:3:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	115.9000	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	120.5833	11.760	3	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:O[5]-2:N[6a]-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5,6]C[3x5,6]O[5,6]H)(O[5]C[5,5,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.7670	0.000	1	116.7670	0.000	1	116.7670	0.000	1	120.5833	11.760	3	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:2:3:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:O[5]-2:N[6a]-3:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,6,6]HO)(O[5]C[5,6,6])(N[6a]C[6a]2)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	120.5833	11.760	3	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	115.9460	0.000	1	115.9460	0.000	1	115.4425	0.507	2	115.4425	0.507	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	114.9390	0.000	1	114.9390	0.000	1	115.4425	0.507	2	115.4425	0.507	2	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.5310	0.000	1	122.5310	0.000	1	121.1335	3.906	2	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.7360	0.000	1	119.7360	0.000	1	121.1335	3.906	2	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](C[3,5]C[3,5]C[3]F)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.4630	0.000	1	116.4630	0.000	1	117.3595	1.607	2	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[3,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.2560	0.000	1	118.2560	0.000	1	117.3595	1.607	2	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.5035	0.069	2	119.2933	0.135	3	119.5948	0.559	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	118.8730	0.000	1	119.2933	0.135	3	119.5948	0.559	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	118.7800	0.000	1	118.7800	0.000	1	119.5948	0.559	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.4545	0.336	2	120.4545	0.113	2	119.5948	0.559	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	113.7810	0.000	1	113.7810	0.000	1	118.5660	5.419	7	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.7760	0.000	1	119.7760	0.000	1	118.5660	5.419	7	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	119.6465	0.163	2	119.6465	0.027	2	118.5660	5.419	7	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.2155	1.037	2	119.0373	2.564	3	118.5660	5.419	7	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	120.6810	0.000	1	119.0373	2.564	3	118.5660	5.419	7	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.9410	0.000	1	121.9410	0.000	1	122.7158	0.354	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.3710	0.000	1	122.3710	0.000	1	122.7158	0.354	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.8910	0.000	2	122.8910	0.000	2	122.7158	0.354	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	123.6900	0.000	1	123.6900	0.000	1	122.7158	0.354	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.5110	0.000	1	122.5110	0.000	1	122.7158	0.354	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.6270	0.000	1	116.6270	0.000	1	115.8753	0.337	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.1520	0.000	1	116.1520	0.000	1	115.8753	0.337	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.6370	0.000	2	115.6370	0.000	2	115.8753	0.337	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	114.9760	0.000	1	114.9760	0.000	1	115.8753	0.337	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,6]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]S[6]H)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.2230	0.000	1	116.2230	0.000	1	115.8753	0.337	6	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.5000	0.000	1	120.5000	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5]C[3,5]HO)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>}	123.3200	0.000	1	123.3200	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.7680	0.000	1	121.7680	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.1930	0.000	1	120.1930	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	123.1250	0.000	1	123.1250	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.5795	0.972	2	119.5795	0.945	2	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.0990	0.000	1	121.8812	1.292	5	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.8830	0.000	1	121.8812	1.292	5	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	122.4747	0.189	3	121.8812	1.292	5	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	121.2645	0.467	2	121.2645	0.218	2	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	119.6910	0.000	1	119.6910	0.000	1	121.3127	1.859	15	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[3,5]HH)(N[6a]C[6a]2)(O[5]C[3,5])(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.8550	0.000	1	117.8550	0.000	1	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|F<1>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]FH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.7080	0.000	1	116.7080	0.000	1	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.9570	0.000	1	117.9570	0.000	1	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,5]HO)(N[6a]C[6a]2)(O[5]C[5,5])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.7590	0.762	2	118.7590	0.581	2	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.5790	0.000	1	115.5790	0.000	1	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.5290	0.000	1	116.4815	2.003	4	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[6a]C[6a]2)(O[5]C[5,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.7990	0.457	3	116.4815	2.003	4	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[5](C[5]C[5]BrF)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.1545	1.235	2	117.1545	1.526	2	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5]O[5]H)(C[6a]C[6a]H)(C[6a]N[6a]O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]BrH)(N[6a]C[6a]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	118.8180	0.000	1	118.8180	0.000	1	117.2823	1.787	13	119.3057	6.507	57	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:H-1:	N[6a]-3:C[6a]-3:C-3:	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO)	N[6a](C[5]C[5,5]O[5]H)(C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	126.0060	0.000	1	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<1>}	123.0375	0.146	2	123.0375	0.021	2	123.0375	0.021	2	119.0738	20.956	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	0:SP2_SP2_SP3	N[6a]	C[5]	C[6a]	4:3:3:	4:3:2:3:	3:3:1:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:N[6a]-3:O[5]-2:C-3:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO)	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O)	N[6a](C[5]C[5,5]O[5]C)(C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[6a]C[6a]2)(O[5]C[5])(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	115.1100	0.008	2	115.1100	0.000	2	115.1100	0.000	2	119.0738	20.956	4	119.3496	5.539	399	119.3208	5.791	430
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	120.7633	0.470	3	120.7633	0.221	3	120.8153	0.158	4	120.8153	0.158	4	121.0110	1.324	9	121.0110	1.324	9
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:2:4:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:O[5,6]-2:C[5]-4:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]O[5,6]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]HO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	120.9710	0.000	1	120.9710	0.000	1	120.8153	0.158	4	120.8153	0.158	4	121.0110	1.324	9	121.0110	1.324	9
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:3:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,6]-4:O[5]-2:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	N[6,6a](C[5,6]C[5,6]O[5]H)(C[6,6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,3|H<1>,4|C<4>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	121.0110	1.324	9	121.0110	1.324	9
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	3:4:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	N[6,6a]-3:C[5,5]-4:O[5,6]-2:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O)	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5]O[5,6]H)(C[6,6a]C[6a]C[6])(C[6a]N[6a]O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[5,6](N[6,6a]C[6,6a]C[6a])(C[5,5]C[5,5]O[5]H)(O[5,6]C[5,6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	119.2770	0.000	1	121.0110	1.324	9	121.0110	1.324	9
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:2:1:	3:4:3:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,5,6]-4:N[6,6a]-3:O[5]-2:H-1:	N[6,6a]-3:C[5,6]-4:C[6a]-3:	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H)	N[6,6a](C[5,6]C[5,5,6]O[5]H)(C[6,6a]C[5,6]C[6a])(C[6a]N[6a]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[6,6a]C[6,6a]C[6a])(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[5,6]O[5,6]O[5]N)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	121.0110	1.324	9	121.0110	1.324	9
217	474	643	6:SP2_SP2_SP3	N[6,6a]	C[5,6]	C[6,6a]	4:3:3:	4:3:3:3:	3:3:2:	C[5,6]-4:C[6,6a]-3:C[6a]-3:	C[5,6]-4:N[6,6a]-3:C[5]-3:C[6a]-3:	C[6,6a]-3:N[6,6a]-3:N[6a]-2:	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])	N[6,6a](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O){1|O<2>,9|C<3>}	C[5,6](C[5,6]C[6,6a]C[6a]O[5])(N[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2){10|C<3>,1|N<2>,1|O<1>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	122.0380	1.136	2	122.0380	1.290	2	122.0380	1.290	2	122.0380	1.290	2	121.0110	1.324	9	121.0110	1.324	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:4:	C[5,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5,6a]-3:N[6a]-3:C[5]-4:	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH)	N[6a](C[5,6a]C[5,6a]C[5])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,4|C<4>,4|H<1>}	C[5](N[6a]C[5,6a]C[6a])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:3:4:	3:4:3:1:	3:3:2:	C[5a,6a]-3:C[6a]-3:C[5]-4:	N[6a]-3:C[5]-4:C[5]-3:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(C[5]C[5]2H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]O[5]HH)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	119.4430	0.585	2	119.4430	0.343	2	119.4430	0.343	2	119.4430	0.343	2	121.0424	2.122	8	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:2:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(N[5a]C[5a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	121.0424	2.122	8	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	121.9700	0.000	1	121.5040	0.290	3	121.1272	0.415	5	121.1272	0.415	5	121.0424	2.122	8	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	121.2710	0.505	2	121.5040	0.290	3	121.1272	0.415	5	121.1272	0.415	5	121.0424	2.122	8	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,2|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	120.4800	0.000	1	120.5620	0.013	2	121.1272	0.415	5	121.1272	0.415	5	121.0424	2.122	8	120.9372	1.956	9
217	474	727	0:SP2_SP2_SP3	N[6a]	C[5]	C[5a,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5a,6a]-3:C[5]-4:C[6a]-3:	N[6a]-3:C[5]-4:O[5]-2:H-1:	C[5a,6a]-3:N[6a]-3:C[5a]-3:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O)	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[5]C[5]O[5]H)(C[6a]N[6a]O){1|C<3>,1|N<2>,1|O<2>,1|S<2>,2|C<4>,3|H<1>}	C[5](N[6a]C[5a,6a]C[6a])(C[5]C[5]HO)(O[5]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]C[5])(C[5a]S[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	120.6440	0.000	1	120.5620	0.013	2	121.1272	0.415	5	121.1272	0.415	5	121.0424	2.122	8	120.9372	1.956	9
217	478	643	0:SP2_SP2_SP3	N[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	N[6a]-3:C[4]-4:C[4]-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H)	C[4](N[6a]C[6a]2)(C[4]C[4]HH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O)	N[6a](C[6a]C[6a,6a]O)2(C[4]C[4]2H){1|C<4>,3|C<3>,4|H<1>}	C[4](N[6a]C[6a]2)(C[4]C[4]HH)2(H){2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C[4])(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	117.8960	0.671	4	117.8960	0.450	4	117.8960	0.450	4	118.4638	2.670	6	118.4638	2.670	6	118.4638	2.670	6
217	478	643	0:SP2_SP2_SP3	N[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	N[6a]-3:C[4]-4:C[4]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	C[4](N[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]FF)(H)	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[4](N[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]FF)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	118.4638	2.670	6	118.4638	2.670	6	118.4638	2.670	6
217	478	643	0:SP2_SP2_SP3	N[6a]	C[4]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[4]-4:	N[6a]-3:C[4]-4:C[4]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H)	C[4](N[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]FF)(H)	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[4]C[4]2H){1|C<3>,2|F<1>,2|H<1>,3|C<4>}	C[4](N[6a]C[6a]2)(C[4]C[4]CH)(C[4]C[4]FF)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6a](N[6a]C[6a]C[4])(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	117.5830	0.000	1	117.5830	0.000	1	117.5830	0.000	1	118.4638	2.670	6	118.4638	2.670	6	118.4638	2.670	6
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H)	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H){1|S<2>,3|C<3>}	C[6a,6a](N[6a]C[5a,6a]C[3])(C[6a,6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	124.4380	0.000	1	124.4380	0.000	1	124.4380	0.000	1	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	121.4260	0.000	1	121.4260	0.000	1	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]Cl){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.8430	0.000	1	123.8430	0.000	1	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]F){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	121.6578	0.636	9	121.6578	0.404	9	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.2550	0.000	1	120.0863	0.626	41	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	119.3600	0.000	1	120.0863	0.626	41	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	120.1029	0.813	38	120.0863	0.626	41	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.0120	0.000	1	120.0863	0.626	41	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]N){1|Cl<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.7070	0.000	1	123.7070	0.000	1	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|F<1>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	123.0680	0.000	1	122.6917	0.511	11	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	122.6541	0.742	10	122.6917	0.511	11	120.8913	1.870	64	120.9459	2.034	65	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a,6a]	3:4:3:	3:3:4:2:	3:3:3:	C[6a,6a]-3:C[3]-4:C[6a]-3:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C[3])(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	120.9390	2.006	66	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,1|F<1>,3|H<1>,4|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]FH)(C[3]C[3]HH)(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.5490	0.000	1	117.5490	0.000	1	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|Cl<1>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.8040	0.000	1	119.2641	1.789	62	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|F<1>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.4699	0.456	9	119.2641	1.789	62	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|N<3>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.1730	0.000	1	119.2641	1.789	62	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|O<2>,4|C<3>,4|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.5971	0.782	11	119.2641	1.789	62	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){4|C<3>,5|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.0151	0.908	40	119.2641	1.789	62	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H)	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[3]C[3]2H){3|C<3>,6|H<1>}	C[3](N[6a]C[6a,6a]C[6a])(C[3]C[3]HH)2(H){1|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.2570	0.000	1	120.2570	0.000	1	119.2528	1.795	64	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	122.0700	0.000	1	122.0700	0.000	1	120.9095	2.694	2	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	119.7490	0.000	1	119.7490	0.000	1	120.9095	2.694	2	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<3>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[3])(C[6a]C[6a]H)(O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){3|H<1>,4|C<3>}	C[3](N[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	115.8970	0.000	1	115.8970	0.000	1	117.2663	2.541	3	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<4>,3|C<3>,3|H<1>}	C[3](N[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.0160	0.000	1	119.0160	0.000	1	117.2663	2.541	3	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H)	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H)	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(C[3]C[3]2H){1|C<3>,1|C<4>,5|H<1>}	C[3](N[6a]C[6a]2)(C[3]C[3]HH)2(H){1|C<3>,1|N<3>,2|O<1>}	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	116.8860	0.000	1	116.8860	0.000	1	117.2663	2.541	3	119.2155	2.001	70	119.1728	2.102	71	120.0237	2.825	137
217	486	643	0:SP2_SP2_SP3	N[6a]	C[3]	C[6a]	3:4:3:	3:3:4:2:	3:3:1:	C[6a,6a]-3:C[3]-4:C[6a]-3:	N[6a]-3:C[6a]-3:C[3]-4:O[3]-2:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O)	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[3]C[6a]C[3]O[3])(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	C[3](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3]){1|O<1>,2|H<1>,5|C<3>}	C[6a](N[6a]C[6a,6a]C[3])(C[6a]C[6a]H)(O){1|O<2>,2|C<4>,3|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	119.1728	2.102	71	120.0237	2.825	137
217	486	727	0:SP2_SP2_SP3	N[6a]	C[3]	C[5a,6a]	3:3:4:	3:4:4:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C[3]-4:	N[6a]-3:C[3]-4:C[3]-4:H-1:	C[5a,6a]-3:N[6a]-3:S[5a]-2:	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H)	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(C[3]C[3]2H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[3](N[6a]C[5a,6a]C[6a,6a])(C[3]C[3]HH)2(H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a]C[3])(S[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C(N[6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C(N[6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	118.8675	1.059	2	118.8675	1.121	2	119.6262	1.141	4	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3)	C(N[6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	N[6a](C[5,6a]C[5,6a]N[5])(C[6,6a]C[6,6a]N[6])(CH3){2|C<3>,3|S<2>}	C(N[6a]C[5,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	120.3850	0.000	2	120.3850	0.000	2	119.6262	1.141	4	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	121.3875	0.503	2	121.3875	0.253	2	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	119.4210	0.000	1	121.1870	1.726	4	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	120.9830	0.000	1	121.1870	1.726	4	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	122.3700	0.000	1	121.1870	1.726	4	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.9740	0.000	1	121.1870	1.726	4	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.4010	0.000	1	119.3380	2.260	2	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	118.2750	0.000	1	119.3380	2.260	2	120.7749	1.893	8	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	120.9020	0.000	1	120.8664	0.198	5	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,1|N<3>,2|O<1>,4|C<4>}	120.8575	0.513	4	120.8664	0.198	5	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	121.0270	0.000	1	121.0443	0.090	6	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	121.0478	0.335	5	121.0443	0.090	6	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.3490	0.000	1	121.5403	0.045	4	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6,6a]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	121.6040	0.207	3	121.5403	0.045	4	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	121.3130	0.068	2	121.4408	0.041	4	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	121.4050	0.000	1	121.4408	0.041	4	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(O[6]C[6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	121.7320	0.000	1	121.4408	0.041	4	121.1854	0.161	19	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	118.9720	0.000	1	118.9720	0.000	1	118.2110	1.751	3	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a]C)(O[6]C[6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	117.8305	1.623	2	117.8305	2.634	2	118.2110	1.751	3	120.6429	1.536	34	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.6620	0.000	1	120.6620	0.000	1	120.6620	0.000	1	121.1172	1.332	4	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	121.1172	1.332	4	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	120.8590	0.000	1	120.8590	0.000	1	120.8590	0.000	1	121.1172	1.332	4	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[5,6]-3:C[6,6a]-3:N[6a]-3:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](N[5,6]C[5,6,6a]C[5])(C[6,6a]C[6a]C[6])(N[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	121.1172	1.332	4	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.7250	0.000	1	119.7250	0.000	1	120.4317	0.604	3	120.4317	0.604	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	120.7850	0.677	2	120.7850	0.459	2	120.4317	0.604	3	120.4317	0.604	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	119.5690	0.000	1	119.5690	0.000	1	120.1675	0.716	2	120.7003	1.210	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	120.7660	0.000	1	120.7660	0.000	1	120.1675	0.716	2	120.7003	1.210	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O[6]-2:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6])	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a]C)(O[6]C[6]){1|N<3>,2|O<1>,4|C<3>}	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	120.7003	1.210	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6,6a]-3:N[6a]-3:C[6]-3:	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a,6a]C)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	119.1033	6.693	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-3:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]H){1|S<1>,2|O<1>,3|N<3>}	120.5970	0.000	2	120.5970	0.000	2	120.5970	0.000	2	119.1033	6.693	3	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6,6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	120.6346	1.770	49	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]C){1|C<3>,1|N<3>,2|O<1>,2|O<2>}	120.6830	0.000	1	120.6830	0.000	1	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	118.9602	0.336	6	119.7640	1.018	12	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.7150	0.318	2	119.7640	1.018	12	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]C){2|C<3>,2|N<3>,2|O<1>}	120.9942	0.444	4	119.7640	1.018	12	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<3>,2|N<3>,2|O<1>}	120.7890	0.816	2	120.8057	0.334	3	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|N<3>,2|C<3>,2|O<1>}	120.8390	0.000	1	120.8057	0.334	3	120.0168	0.996	16	120.0168	0.996	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	118.8230	0.000	1	119.7966	0.483	5	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0400	0.499	4	119.7966	0.483	5	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	118.7630	0.000	1	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	119.9570	0.000	1	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){2|C<3>,2|N<3>,2|O<1>}	119.0580	0.000	1	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	120.4788	0.228	4	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|N<2>,2|N<3>}	119.1970	0.182	2	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>,2|O<1>}	120.4870	0.000	1	119.8574	0.539	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.9515	0.361	4	120.9587	0.876	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|O<1>}	120.8790	0.000	1	120.9587	0.876	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	120.9090	1.569	4	120.9587	0.876	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	121.2660	0.000	1	120.9587	0.876	10	120.2858	0.926	25	120.2273	0.978	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]B[6a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C(N[6a]B[6a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|B<3>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	116.5670	0.397	6	116.5670	0.158	6	116.5670	0.158	6	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	120.8360	0.000	1	120.8360	0.000	1	122.2355	3.917	2	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	123.6350	0.000	1	123.6350	0.000	1	122.2355	3.917	2	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3)	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]O[6])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6,6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a]C)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.5937	0.846	3	121.5937	0.715	3	121.5937	0.715	3	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[3x6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	117.9900	0.000	1	117.9900	0.000	1	118.5368	2.082	5	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	120.1120	0.000	1	119.2113	2.242	3	118.5368	2.082	5	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	117.4830	0.000	1	119.2113	2.242	3	118.5368	2.082	5	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.0390	0.000	1	119.2113	2.242	3	118.5368	2.082	5	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	117.0600	0.000	1	117.0600	0.000	1	118.5368	2.082	5	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6a,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,5|C<3>}	121.4380	0.000	1	121.4380	0.000	1	119.5540	4.945	3	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	120.1230	0.000	1	118.6120	4.566	2	119.5540	4.945	3	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	117.1010	0.000	1	118.6120	4.566	2	119.5540	4.945	3	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6,6a]C[6,6a]C[6])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	117.8230	0.000	1	117.8230	0.000	1	117.8230	0.000	1	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|B<3>,1|H<1>,4|C<3>}	118.0580	0.000	1	118.0580	0.000	1	118.5448	0.423	4	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.7070	0.690	3	118.7070	0.476	3	118.5448	0.423	4	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|O<2>,6|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	117.5810	0.000	1	117.5810	0.000	1	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.2870	0.000	1	120.2870	0.000	1	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<4>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	118.2110	0.280	2	118.2110	0.078	2	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	118.4260	0.291	4	118.5976	0.179	11	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|B<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	118.6957	0.474	7	118.5976	0.179	11	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	118.9683	0.318	10	118.9683	0.101	10	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[5,6a]H){1|O<1>,2|O<2>,3|C<3>}	120.4280	0.000	1	120.4280	0.000	1	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.5625	0.426	2	119.2997	1.706	18	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.6419	0.893	16	119.2997	1.706	18	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|H<1>,1|O<2>,5|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]O){1|O<1>,2|O<2>,3|C<3>}	121.7995	0.606	2	121.7995	0.367	2	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3)	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CH3){1|S<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(H)3	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	118.7800	0.505	2	118.7800	0.255	2	119.1152	1.232	48	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|N<2>,4|C<3>}	117.3530	0.000	1	117.3530	0.000	1	118.0105	0.865	2	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[3x6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	118.6680	0.000	1	118.6680	0.000	1	118.0105	0.865	2	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.7040	0.000	1	119.7040	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){2|H<1>,4|C<3>}	117.8160	0.000	1	117.8160	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	120.4020	0.000	1	120.4020	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.8490	0.222	2	119.8490	0.049	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.5505	0.172	2	119.5505	0.030	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.7368	0.340	13	119.7171	0.112	14	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.4620	0.000	1	119.7171	0.112	14	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	119.0520	0.000	1	118.9790	0.011	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.9060	0.000	1	118.9790	0.011	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	118.3767	0.260	3	118.3767	0.068	3	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]B[6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,2|C<3>,3|H<1>}	119.9920	0.356	2	119.9920	0.127	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|N<3>,2|C<3>,2|H<1>}	119.6330	0.000	1	120.8217	1.116	3	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	121.4160	0.337	2	120.8217	1.116	3	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	118.8210	0.000	1	118.8210	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[5,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.6890	0.000	1	119.6890	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	119.6960	0.413	2	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.0163	0.409	3	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	118.5030	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9850	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.4650	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.8260	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	119.3130	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	119.6100	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	119.4380	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	119.9040	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.7960	1.010	4	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	119.5140	0.185	2	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.8072	0.677	6	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.8100	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.8810	0.000	1	119.6752	0.342	27	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|H<1>,1|O<1>,2|C<3>}	120.0710	0.000	1	120.0718	0.205	11	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.1834	0.492	5	120.0718	0.205	11	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	119.9604	0.488	5	120.0718	0.205	11	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.2370	0.000	1	119.9435	0.172	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.6500	0.000	1	119.9435	0.172	2	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	120.6660	0.000	1	120.6660	0.000	1	119.7214	0.450	74	119.3577	1.498	148	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	120.0340	2.491	2	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	121.1500	0.000	1	121.1500	0.000	1	121.1500	0.000	1	120.0340	2.491	2	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	120.4460	0.000	1	120.6740	0.104	2	120.6740	0.104	2	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[5a,6a]N[5a,6a]C[5a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C){1|O<1>,1|O<2>,6|C<3>}	120.9020	0.000	1	120.6740	0.104	2	120.6740	0.104	2	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	116.8435	0.962	2	116.8435	0.926	2	118.2613	3.012	4	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.6790	0.264	2	119.6790	0.070	2	118.2613	3.012	4	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.2680	0.000	1	120.2680	0.000	1	120.2863	0.310	6	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.1000	0.146	2	120.1000	0.021	2	120.2863	0.310	6	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.7335	0.897	2	120.7335	0.805	2	120.2863	0.310	6	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	119.7830	0.000	1	119.7830	0.000	1	120.2863	0.310	6	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]O)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	123.3660	0.000	1	123.3660	0.000	1	120.9177	2.708	4	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	120.1690	0.324	2	120.1690	0.105	2	120.9177	2.708	4	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	119.9670	0.000	1	119.9670	0.000	1	120.9177	2.708	4	119.9864	2.378	16	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CHN)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CHN)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	117.3080	0.236	2	117.3080	0.056	2	117.3080	0.056	2	118.2196	0.709	5	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	118.8410	0.000	1	118.8410	0.000	1	118.8273	0.005	3	118.2196	0.709	5	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	118.8205	0.095	2	118.8205	0.009	2	118.8273	0.005	3	118.2196	0.709	5	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[6a]HH){1|H<1>,5|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	121.1040	0.000	1	121.1040	0.000	1	121.1040	0.000	1	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|C<4>,2|H<1>,3|C<3>}	117.4720	0.000	1	117.4720	0.000	1	118.6273	0.788	4	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]B[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]B[6a]C){1|O<2>,2|C<3>,3|H<1>}	119.0123	0.540	3	119.0123	0.292	3	118.6273	0.788	4	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CHN)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CHN)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.1695	0.067	2	122.1695	0.005	2	119.9479	2.430	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.2073	0.876	6	119.2073	0.768	6	119.9479	2.430	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.6060	0.000	1	120.6060	0.000	1	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.6550	0.000	1	119.6550	0.000	1	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.1950	0.000	1	121.1310	0.026	4	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.2190	0.000	1	121.1310	0.026	4	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.0550	0.232	2	121.1310	0.026	4	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.0510	0.000	1	120.9895	0.008	2	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.9280	0.000	1	120.9895	0.008	2	120.8455	0.275	8	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.3057	0.683	3	121.3057	0.467	3	121.3057	0.467	3	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.9150	0.000	1	119.6575	0.133	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4000	0.000	1	119.6575	0.133	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.6000	0.000	1	119.6000	0.000	1	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	121.5160	0.000	1	121.5160	0.000	1	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(N[6a]C[6a]C){2|C<3>,4|H<1>}	122.3385	0.063	2	122.3385	0.004	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.2110	0.000	1	120.0955	1.565	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.9800	0.000	1	120.0955	1.565	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.6515	0.413	4	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.7360	0.000	1	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.4357	0.885	7	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.5770	0.675	3	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.0830	0.102	2	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.0160	0.000	1	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	119.5720	0.000	1	120.6251	0.609	19	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.7590	0.000	1	120.7590	0.000	1	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	119.5650	0.403	2	119.5650	0.162	2	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	120.2325	0.173	2	120.2253	0.015	3	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	120.2110	0.000	1	120.2253	0.015	3	120.5376	0.797	33	120.4144	1.198	57	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	118.8370	0.000	1	118.8370	0.000	1	118.8370	0.000	1	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	117.2280	0.000	1	117.2280	0.000	1	117.9480	0.588	4	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	117.8830	0.000	1	117.8830	0.000	1	117.9480	0.588	4	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a]){1|N<3>,2|C<3>,2|O<1>}	118.3405	0.967	2	118.3405	0.934	2	117.9480	0.588	4	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	120.6079	0.595	9	120.5574	0.263	20	120.4800	0.376	21	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6234	0.320	9	120.5574	0.263	20	120.4800	0.376	21	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	120.0335	0.858	2	120.5574	0.263	20	120.4800	0.376	21	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a]C)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.9310	0.000	1	118.9310	0.000	1	120.4800	0.376	21	120.0273	1.292	26	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H)	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.2220	0.000	1	119.2220	0.000	1	119.2220	0.000	1	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]B[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	116.7853	1.050	6	116.7853	1.102	6	116.7853	1.102	6	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:B[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]B[6a]C){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	116.9840	0.000	1	116.9840	0.000	1	116.9840	0.000	1	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(C[6a]C[6a]N[5])(N[6a]C[6a,6a]C){1|H<1>,1|N<3>,6|C<3>}	120.9630	0.000	1	120.9630	0.000	1	120.9630	0.000	1	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]C){1|H<1>,1|N<3>,4|C<3>}	120.9420	0.247	2	120.9420	0.061	2	119.3748	1.082	13	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.9827	0.696	8	118.9827	0.484	8	119.3748	1.082	13	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]N){1|H<1>,1|N<3>,4|C<3>}	120.8730	0.000	1	120.8730	0.000	1	119.3748	1.082	13	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6,6a,6a]C[6,6,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	118.6265	0.165	2	118.6265	0.027	2	119.3748	1.082	13	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)(N[6a]C[6a,6a]C){1|H<1>,1|O<1>,4|C<3>}	118.9758	0.433	10	118.9758	0.188	10	118.9758	0.188	10	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	118.7970	0.911	2	119.4893	0.527	11	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.5120	0.107	2	119.4893	0.527	11	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	119.6806	0.732	7	119.4893	0.527	11	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	120.7740	0.421	2	120.7740	0.178	2	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	122.0360	0.000	1	122.0360	0.000	1	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	122.1000	0.000	1	122.1000	0.000	1	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.2105	1.447	2	120.2105	2.095	2	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	120.1780	0.000	1	120.1780	0.000	1	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	120.4190	0.935	2	120.0226	0.402	17	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	120.1670	0.000	1	120.0226	0.402	17	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>}	120.3110	0.000	1	120.0226	0.402	17	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.9283	0.647	13	120.0226	0.402	17	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CClHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CClHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.5950	0.781	2	119.5950	0.609	2	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,3|C<3>}	119.1140	0.000	1	118.7130	0.396	6	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pd<4>,2|H<1>,3|C<3>}	118.3527	0.684	3	118.7130	0.396	6	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,3|C<3>}	119.4160	0.000	1	118.7130	0.396	6	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(N[6a]C[6a,6a]2)(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,3|C<3>}	118.6900	0.000	1	118.7130	0.396	6	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]2)(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a]C)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	119.6393	0.533	6	119.6393	0.284	6	119.8031	0.831	49	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	118.9380	0.004	2	118.9380	0.000	2	118.9380	0.000	2	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.4580	0.000	1	120.4580	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(N[6a]C[6a]C){1|H<1>,1|O<1>,4|C<3>}	121.7200	0.185	2	121.7200	0.034	2	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.5850	0.000	1	119.5850	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	121.2050	0.000	1	121.2050	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	120.7690	0.000	1	120.7690	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	123.7310	0.000	1	123.7310	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]F)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	124.8715	0.046	2	124.8715	0.002	2	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	121.2630	0.000	1	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	120.7140	0.000	1	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|F<1>,1|O<1>,2|C<3>,2|H<1>}	121.5560	0.000	1	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	121.4679	0.810	32	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	121.3900	0.270	2	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	125.1570	0.000	1	121.5380	0.931	38	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,3|H<1>}	122.0660	0.000	1	122.0660	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.6600	0.000	1	120.4177	0.182	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.5820	0.330	2	120.4177	0.182	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	119.8470	0.000	1	120.4177	0.182	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	119.2530	0.000	1	120.5250	1.434	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.9490	1.036	3	120.5250	1.434	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a,6a](C[6a,6a]N[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	120.9160	0.000	1	120.9160	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.0790	0.000	1	120.9740	0.078	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	120.6240	0.000	1	120.9740	0.078	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	120.9100	0.000	1	120.9740	0.078	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.2830	0.000	1	120.9740	0.078	4	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.4300	0.325	2	120.8383	0.310	7	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.3977	0.425	3	120.8383	0.310	7	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.6860	0.000	1	120.8383	0.310	7	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.1290	0.000	1	120.8383	0.310	7	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	120.2780	0.000	1	120.2780	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.4120	0.000	1	121.8490	0.382	2	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	122.2860	0.000	1	121.8490	0.382	2	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>}	122.6600	0.000	1	122.6600	0.000	1	121.3962	1.277	72	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	C[6a,6a](C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)(N[6a]C[6a]C){1|O<1>,2|C<3>,2|H<1>}	121.6405	0.661	2	121.6405	0.437	2	121.6405	0.437	2	120.3283	2.387	157	119.9513	1.934	454	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:1:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3)	C(N[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CH3){1|Cl<1>,1|C<3>,1|H<1>}	C(N[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|Cl<1>,1|C<3>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.8736	0.397	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:1:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3)	C(N[6a]C[6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CH3){2|C<3>}	C(N[6a]C[6a]N[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	118.9919	0.577	7	118.9919	0.333	7	118.9919	0.333	7	118.8736	0.397	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:2:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:O-2:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO)	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CHHO){2|C<3>}	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	119.2470	0.000	1	119.2470	0.000	1	119.2470	0.000	1	120.4627	1.144	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:2:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	120.8830	0.000	1	121.0705	0.070	2	121.0705	0.070	2	120.4627	1.144	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:2:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO)	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])(CHHO){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(OC)(H)2	C[6a](N[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|O<1>}	121.2580	0.000	1	121.0705	0.070	2	121.0705	0.070	2	120.4627	1.144	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:2:3:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])(CC[6a]HH){1|Br<1>,1|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]N[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|O<1>}	125.6250	1.180	3	125.6250	1.393	3	125.6250	1.393	3	125.6250	1.393	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH)	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[5a]HH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]N[5a]O[5a])(N[6a]C[6a]N[6a])(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|N<3>,2|C<3>}	C(N[6a]C[6a]N[6a])(CN[6]O)(H)2	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	117.3380	0.000	1	117.3380	0.000	1	118.7177	0.645	7	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	118.9682	0.722	4	118.9682	0.521	4	118.7177	0.645	7	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|C<4>}	118.7070	0.000	1	118.9065	0.080	2	118.7177	0.645	7	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){2|C<3>}	119.1060	0.000	1	118.9065	0.080	2	118.7177	0.645	7	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){3|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	117.7150	0.000	1	117.7150	0.000	1	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]N[6a]C)(O){1|C<3>,1|O<2>}	119.3383	0.420	3	119.3383	0.176	3	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	119.3270	0.000	1	120.0010	0.568	3	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|C<3>,2|H<1>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|Br<1>,1|C<3>}	119.8610	0.000	1	120.0010	0.568	3	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	120.8150	0.000	1	120.0010	0.568	3	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC[6a]HH){1|Cl<1>,1|C<3>,1|S<2>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]S)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	119.4690	0.000	1	119.4690	0.000	1	119.4002	0.775	8	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:3:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH)	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CN[6]HH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]N[6a])(N[6]C[6]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|H<1>}	121.0760	0.000	1	121.0760	0.000	1	121.0760	0.000	1	119.1914	0.927	17	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	122.1530	0.000	1	122.1530	0.000	1	120.0822	1.407	5	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	119.5645	0.299	4	119.5645	0.090	4	120.0822	1.407	5	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]Cl)(N[6a]N[6a]C)(O){1|C<3>,1|N<3>}	119.9275	0.467	2	119.9275	0.218	2	120.2956	1.458	5	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){2|C<3>}	119.6280	0.399	2	119.6280	0.159	2	120.2956	1.458	5	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]N[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|C<3>,1|C<4>}	122.3670	0.000	1	122.3670	0.000	1	120.2956	1.458	5	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	C(N[6a]C[6a]N[6a])(CClHH)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	C(N[6a]C[6a]N[6a])(CClHH)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	118.9660	0.166	3	118.9660	0.028	3	118.9660	0.028	3	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:1:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:Si-4:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH)	C(N[6a]C[6a]N[6a])(SiC3)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CSiHH){2|C<3>}	C(N[6a]C[6a]N[6a])(SiC3)(H)2	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	119.8251	1.253	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:4:1:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,1|N<2>,2|C<3>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:4:3:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:C-4:C-3:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]C)(O){3|C<3>}	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:2:4:	3:4:4:4:	3:3:1:	C[6a]-3:N[6a]-2:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	C(N[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	C(N[6a]C[6a]N[6a])(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|H<1>,3|C<3>}	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	122.2350	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|O<1>,1|S<2>}	119.2410	0.000	1	119.2410	0.000	1	119.7603	0.203	3	118.5492	1.930	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.0200	0.025	2	120.0200	0.001	2	119.7603	0.203	3	118.5492	1.930	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	116.8300	0.000	1	116.8300	0.000	1	117.3380	0.222	3	118.5492	1.930	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	117.5920	0.240	2	117.5920	0.058	2	117.3380	0.222	3	118.5492	1.930	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	119.3410	0.000	1	119.3410	0.000	1	120.8830	1.851	3	120.8407	0.668	12	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	121.6540	0.368	2	121.6540	0.135	2	120.8830	1.851	3	120.8407	0.668	12	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	120.6901	0.573	8	120.6901	0.329	8	120.8267	0.455	9	120.8407	0.668	12	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	121.9190	0.000	1	121.9190	0.000	1	120.8267	0.455	9	120.8407	0.668	12	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CC[6a]C){1|O<1>,2|C<3>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.2615	0.954	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<1>}	120.5710	0.000	1	120.5710	0.000	1	120.5710	0.000	1	121.2615	0.954	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a])(N[6a]C[6a]C)(CCCN){1|O<1>,2|C<3>}	126.0880	0.000	1	126.0880	0.000	1	123.1940	6.501	3	123.1940	6.501	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	122.2160	0.000	1	122.2160	0.000	1	123.1940	6.501	3	123.1940	6.501	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	121.2780	0.000	1	121.2780	0.000	1	123.1940	6.501	3	123.1940	6.501	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<2>,1|N<3>}	118.9600	0.054	2	118.9600	0.003	2	118.9600	0.003	2	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	116.4740	0.000	1	116.4740	0.000	1	116.4740	0.000	1	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<4>,2|C<3>}	116.7300	0.000	1	116.7300	0.000	1	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>}	118.3140	0.000	1	118.8258	0.278	14	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	118.8652	0.527	13	118.8258	0.278	14	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|N<3>,1|O<2>}	119.4720	0.000	1	119.4720	0.000	1	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	119.2195	0.087	2	118.8713	0.130	6	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|N<2>,2|O<2>}	118.6972	0.305	4	118.8713	0.130	6	118.7723	0.430	22	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|N<3>,2|O<1>}	118.2910	0.000	1	118.2910	0.000	1	118.2910	0.000	1	118.6798	0.575	26	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<3>,1|O<1>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<2>,1|O<1>}	121.3270	0.000	1	121.5267	0.336	3	122.1956	0.627	7	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	121.0730	0.000	1	121.5267	0.336	3	122.1956	0.627	7	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|C<3>,1|N<3>,1|O<1>}	122.1800	0.000	1	121.5267	0.336	3	122.1956	0.627	7	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:O-2:	N[6a](C[6a]N[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(OC){1|N<2>,1|O<1>,1|O<2>}	122.6972	0.497	4	122.6972	0.247	4	122.1956	0.627	7	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	120.3790	0.000	1	121.3085	0.461	4	120.4982	3.629	5	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|O<1>}	122.0100	0.000	1	121.3085	0.461	4	120.4982	3.629	5	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	121.4420	0.000	1	121.3085	0.461	4	120.4982	3.629	5	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	121.4030	0.000	1	121.3085	0.461	4	120.4982	3.629	5	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]N[6a])(SC){1|C<3>,1|O<1>}	117.2570	0.000	1	117.2570	0.000	1	120.4982	3.629	5	121.4517	2.241	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|H<1>,1|O<1>,5|C<3>}	121.6785	0.821	2	121.6785	0.674	2	121.6785	0.674	2	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<1>}	122.1350	0.000	1	122.1350	0.000	1	120.9706	0.710	18	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	120.6659	0.502	14	120.6659	0.252	14	120.9706	0.710	18	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>}	120.6080	0.000	1	120.6080	0.000	1	120.9706	0.710	18	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	122.6180	0.000	1	122.6180	0.000	1	120.9706	0.710	18	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	122.7870	0.000	1	122.7870	0.000	1	120.9706	0.710	18	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N[5]-3:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:N[6]-3:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	122.9810	0.000	1	122.9810	0.000	1	122.9810	0.000	1	121.2106	0.950	22	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CCCN){1|O<1>,2|C<3>}	125.1440	0.538	4	125.1440	0.289	4	123.3269	5.392	7	123.3269	5.392	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|O<1>,2|C<3>}	120.9040	0.576	3	120.9040	0.332	3	123.3269	5.392	7	123.3269	5.392	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	116.3860	0.424	2	116.2530	0.143	3	116.2994	0.212	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	115.9870	0.000	1	116.2530	0.143	3	116.2994	0.212	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	115.8430	0.194	2	116.3870	0.427	4	116.2994	0.212	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]N)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	116.9310	0.245	2	116.3870	0.427	4	116.2994	0.212	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	116.1940	0.267	2	116.1940	0.071	2	116.2994	0.212	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]B[6a]C[6a])(H)3	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(H)3	C[6a](N[6a]B[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	115.3383	0.672	3	115.3383	0.452	3	115.3383	0.452	3	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6760	0.000	1	118.6760	0.000	1	118.6760	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.8921	0.728	14	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,2|N<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.4290	0.595	3	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	119.2846	0.702	10	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.1675	0.271	2	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	120.2920	0.000	1	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	118.9020	0.072	2	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	117.5613	0.859	8	119.1636	1.205	40	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,2|N<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	120.5760	0.000	1	120.5943	0.042	3	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	120.6035	0.288	2	120.5943	0.042	3	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	118.4470	0.892	2	118.4470	0.796	2	119.2271	1.247	45	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CH3){1|N<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.8047	0.193	3	119.8047	0.037	3	120.6762	3.063	4	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|O<1>,1|O<2>}	123.2910	0.000	1	123.2910	0.000	1	120.6762	3.063	4	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	117.8140	0.000	1	117.8140	0.000	1	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)(CH3){1|N<3>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	117.6710	0.120	2	117.6710	0.014	2	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.4270	0.000	1	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.5275	0.250	4	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	118.3910	0.655	2	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.4237	0.690	201	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|C<4>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	115.9305	0.260	2	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|N<2>,2|C<3>,2|C<4>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	117.6215	0.217	2	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){2|C<4>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	115.9723	0.450	3	119.3186	0.761	215	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	119.9123	0.741	13	119.9123	0.550	13	119.3313	0.790	231	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6,6a]C)(O){1|C<4>,1|S<2>,3|C<3>}	116.5310	0.000	1	116.5310	0.000	1	116.5310	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CH3){1|N<2>,2|C<4>,3|H<1>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(C[6a]N[6a]H)(O){1|C<3>,1|C<4>}	117.0225	0.803	2	117.0225	0.644	2	117.0225	0.644	2	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	117.2340	0.000	1	117.2340	0.000	1	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[5,6])(C[6a]N[6a]O)(CH3){2|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	114.4850	0.000	1	114.4850	0.000	1	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	117.2290	0.000	1	117.1900	0.548	9	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.8190	0.000	1	117.1900	0.548	9	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.6420	0.000	1	117.1900	0.548	9	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	118.2490	0.000	1	117.1900	0.548	9	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.7542	0.655	5	117.1900	0.548	9	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	119.3270	0.000	1	119.3270	0.000	1	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){1|C<3>,3|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	117.6291	0.406	13	117.6487	0.227	19	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CH3){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	117.6912	0.647	6	117.6487	0.227	19	117.4542	0.740	31	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.5930	0.000	1	116.5930	0.000	1	116.5930	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	117.2850	0.451	2	117.2850	0.204	2	117.3450	0.371	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|S<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.5200	0.000	1	116.5200	0.000	1	117.3450	0.371	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	117.8175	0.383	2	117.8175	0.146	2	117.3450	0.371	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[5,6,6]C[6,6a])(N[6a]C[6a,6a]C)(O){2|C<3>,2|C<4>,2|O<2>}	116.8765	0.026	2	116.8765	0.001	2	117.5410	0.191	14	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.5907	0.351	4	117.5907	0.123	4	117.5410	0.191	14	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.8247	0.322	6	117.8247	0.103	6	117.5410	0.191	14	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,4|C<3>}	117.0930	0.000	1	117.2550	0.052	2	117.5410	0.191	14	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	117.4170	0.000	1	117.2550	0.052	2	117.5410	0.191	14	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	117.3910	0.000	1	117.3910	0.000	1	117.5165	0.032	2	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	117.6420	0.000	1	117.6420	0.000	1	117.5165	0.032	2	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|O<2>,4|C<3>}	117.5740	0.000	1	117.5740	0.000	1	117.6813	0.408	10	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	116.6800	0.000	1	116.6800	0.000	1	117.6813	0.408	10	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	117.4636	0.412	5	117.4636	0.169	5	117.6813	0.408	10	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]C)(O){1|H<1>,2|C<3>,2|C<4>}	118.4137	0.259	3	118.4137	0.067	3	117.6813	0.408	10	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	116.5350	0.000	1	116.5350	0.000	1	116.1605	0.281	2	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	115.7860	0.000	1	115.7860	0.000	1	116.1605	0.281	2	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|B<3>,1|C<4>,1|H<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]B[6a]C)(H){1|Cl<1>,2|C<3>}	117.8310	0.156	2	117.8310	0.024	2	118.1548	0.247	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>}	118.6865	0.118	2	118.6865	0.014	2	118.1548	0.247	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CH3){1|H<1>,1|S<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]S)(H){1|H<1>,2|C<3>}	117.7390	0.000	1	117.7390	0.000	1	118.1548	0.247	5	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|Cl<1>,4|C<3>}	116.9890	0.000	1	117.1056	0.074	7	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|H<1>,4|C<3>}	116.6660	0.000	1	117.1056	0.074	7	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|O<2>,4|C<3>}	117.1490	0.000	1	117.1056	0.074	7	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){5|C<3>}	117.2338	0.236	4	117.1056	0.074	7	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	118.0490	0.000	1	117.2995	0.324	13	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	117.8663	0.058	3	117.2995	0.324	13	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	117.1405	0.312	2	117.2995	0.324	13	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	117.2122	0.348	4	117.2995	0.324	13	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	116.7050	0.615	3	117.2995	0.324	13	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|C<4>,2|C<3>}	116.8060	0.000	1	117.3610	0.616	2	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	117.9160	0.000	1	117.3610	0.616	2	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|O<2>,2|C<3>}	116.3820	0.000	1	116.9020	0.541	2	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){3|C<3>}	117.4220	0.000	1	116.9020	0.541	2	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|O<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]O)(O){3|C<3>}	117.2680	0.000	1	117.2680	0.000	1	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|H<1>,1|P<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]P)(O){1|H<1>,2|C<3>}	117.5590	0.000	1	117.5590	0.000	1	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|Se<2>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]Se)(O){3|C<3>}	115.6740	0.000	1	115.6740	0.000	1	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.6120	0.799	3	117.6120	0.639	3	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(O){1|N<2>,1|N<3>,3|C<3>}	117.9120	0.354	4	117.9120	0.125	4	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CH3){1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(O){1|N<2>,2|C<3>}	118.2930	0.000	1	118.2930	0.000	1	117.3267	0.388	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]2)(O){1|N<2>,1|O<1>,3|C<3>}	116.2960	0.000	1	116.2960	0.000	1	117.2993	0.627	34	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.0670	0.568	8	117.1436	0.634	24	117.2993	0.627	34	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|C<4>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.1819	0.904	16	117.1436	0.634	24	117.2993	0.627	34	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	118.0448	0.601	5	117.8260	0.255	9	117.2993	0.627	34	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	117.5525	0.140	4	117.8260	0.255	9	117.2993	0.627	34	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	B[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	118.6050	0.000	1	118.6050	0.000	1	118.6050	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	117.3270	0.000	1	116.2850	1.098	3	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	116.2970	0.000	1	116.2850	1.098	3	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	115.2310	0.000	1	116.2850	1.098	3	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	116.9300	0.537	2	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,2|N<2>}	117.0726	1.552	14	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	117.1668	1.097	9	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	117.2726	0.844	7	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ni<6>,1|N<2>,1|O<1>,2|N<3>}	116.4473	0.532	3	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	116.3780	0.000	1	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|Ru<6>,1|C<3>,1|O<1>,2|N<3>}	117.1950	0.000	1	117.0595	1.337	37	117.0014	1.333	40	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(H){1|O<1>,3|C<3>}	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	116.6930	0.000	1	116.6930	0.000	1	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	118.1600	0.000	1	118.1600	0.000	1	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	117.4855	0.128	2	117.3703	0.474	9	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.7630	0.000	1	117.3703	0.474	9	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	117.2665	0.840	6	117.3703	0.474	9	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<1>,2|N<3>}	117.0485	0.243	4	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	117.0603	0.748	117	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	117.4337	0.777	70	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Co<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.7610	0.000	1	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Mg<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.5440	0.000	1	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Pt<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.4215	0.426	2	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<4>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.0450	0.000	1	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|Zn<5>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.7025	0.457	2	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	118.8770	0.000	1	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	117.3420	0.000	1	117.2221	0.592	200	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	116.8440	0.224	3	116.4748	0.401	8	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	116.4638	0.624	4	116.4748	0.401	8	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>,2|C<3>}	115.4110	0.000	1	116.4748	0.401	8	117.2028	0.597	219	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	116.5810	0.000	1	116.5810	0.000	1	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]O[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,2|C<4>}	112.3650	0.000	1	112.3650	0.000	1	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	118.0404	0.811	5	118.0404	0.657	5	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	117.5898	0.733	6	117.5898	0.537	6	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	118.2800	0.438	2	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|N<3>}	118.4090	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|N<3>}	117.5130	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.9017	0.133	4	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	119.6170	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	118.6090	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	120.2210	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	117.7642	0.501	5	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	117.7180	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,2|O<1>}	117.5960	0.000	1	118.1484	0.582	18	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|Re<6>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.6160	0.000	1	117.5870	0.117	3	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]N[6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	117.5725	0.482	2	117.5870	0.117	3	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	117.2320	0.000	1	117.2320	0.000	1	117.7529	1.458	35	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|O<1>,3|C<3>}	119.5070	0.000	1	119.5070	0.000	1	118.7786	0.252	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	118.6875	0.450	8	118.6875	0.203	8	118.7786	0.252	9	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	116.0360	0.000	1	115.7564	0.485	5	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	115.0340	0.252	2	115.7564	0.485	5	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,4|C<3>}	116.3390	0.277	2	115.7564	0.485	5	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	114.4610	0.000	1	115.1405	0.923	2	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	115.8200	0.000	1	115.1405	0.923	2	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	118.3940	0.000	1	117.6960	0.366	3	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|H<1>,3|C<3>}	117.3630	0.000	1	117.6960	0.366	3	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	117.3310	0.000	1	117.6960	0.366	3	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.6355	0.248	2	116.5863	0.038	3	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	116.4880	0.000	1	116.5863	0.038	3	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	117.7935	0.421	2	117.7935	0.177	2	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,2|N<2>}	117.8520	0.000	1	117.8520	0.000	1	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	117.5381	0.515	7	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	117.7200	0.387	3	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	117.9500	0.000	1	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	117.4774	1.061	5	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	119.2985	0.868	2	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.3120	0.000	1	117.7459	0.714	19	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	117.9460	0.883	8	118.0114	0.626	10	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	118.2730	0.110	2	118.0114	0.626	10	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.2325	0.824	2	117.2325	0.679	2	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CH3){4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	117.0405	0.695	2	117.0405	0.483	2	117.3711	1.172	49	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]B[6a]H)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|B<3>,2|H<1>}	118.2010	0.000	1	118.2010	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.7790	0.000	1	119.7790	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|H<1>,2|C<3>}	119.8860	0.000	1	119.8860	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[5])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,4|C<3>}	119.0740	0.000	1	119.0740	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.2390	0.000	1	120.2390	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CH3){1|Se<2>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]Se)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.0070	0.000	1	120.0070	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|S<2>}	117.4630	0.000	1	118.7237	0.732	4	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	119.1440	0.194	3	118.7237	0.732	4	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	119.5310	0.000	1	119.5310	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.1540	0.000	1	119.8785	0.152	2	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.6030	0.000	1	119.8785	0.152	2	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.7860	0.000	1	119.7860	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.1513	0.743	7	120.0736	0.566	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.4675	0.423	4	120.0736	0.566	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	120.3550	0.095	2	120.0736	0.566	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.5810	0.000	1	120.0736	0.566	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.0107	0.603	3	120.0736	0.566	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	120.8710	0.000	1	120.8710	0.000	1	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0130	0.283	2	121.0760	0.084	4	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.1390	0.396	2	121.0760	0.084	4	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	120.9708	0.434	13	121.0976	0.226	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|O<1>,2|N<2>}	121.2440	0.000	1	121.0976	0.226	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.3450	0.021	2	121.0976	0.226	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	122.1050	0.000	1	121.0976	0.226	17	120.3065	0.909	53	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|S<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	118.0780	0.000	1	118.0780	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	116.9940	0.042	2	116.9940	0.002	2	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a]C)(O){1|H<1>,3|C<3>}	117.2700	0.000	1	117.2700	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	117.1950	0.495	3	117.1950	0.245	3	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|Br<1>,1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	117.3320	0.000	1	117.3320	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	117.1260	0.000	1	117.1260	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	118.3145	0.281	2	118.1337	0.138	3	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	117.7720	0.000	1	118.1337	0.138	3	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|I<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	117.5290	0.000	1	117.5290	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.8605	0.429	2	116.6960	0.173	3	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|N<3>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.3670	0.000	1	116.6960	0.173	3	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N[5])(N[6a]C[6a]C)(O){2|H<1>,3|C<3>}	116.6234	0.540	5	116.6234	0.292	5	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	117.6797	0.436	4	117.6797	0.190	4	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CH3){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>}	115.0209	1.694	7	115.0209	2.869	7	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	118.1953	0.896	15	118.1372	0.771	17	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,2|N<2>}	118.2780	0.000	1	118.1372	0.771	17	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	117.1250	0.000	1	118.1372	0.771	17	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>,2|N<3>}	119.5800	0.000	1	119.5800	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>,2|N<3>}	119.3600	0.000	1	119.3600	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	118.6903	0.438	3	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	118.2420	0.000	1	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.6646	0.516	8	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.6572	0.982	5	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.4060	0.000	1	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	118.0620	0.000	1	118.5992	0.368	19	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	118.6950	0.000	1	118.6950	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,2|C<3>,2|N<3>}	117.4790	0.000	1	117.4790	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	118.4790	0.000	1	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	118.5845	0.491	2	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	118.9810	0.235	2	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	117.9512	0.670	9	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|O<2>,2|N<2>}	118.9500	0.000	1	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|Cl<1>,1|N<3>,1|O<1>}	118.3430	0.000	1	118.2790	0.435	16	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|N<4>,1|O<1>}	116.5130	0.376	2	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.5472	0.763	9	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<1>}	118.4060	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>}	118.0650	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.1561	0.743	7	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.1220	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	117.0910	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	117.6100	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|O<2>}	119.1580	0.000	1	118.1457	0.756	24	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	119.5230	0.000	1	118.7340	1.245	2	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	117.9450	0.000	1	118.7340	1.245	2	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	118.4800	0.000	1	118.2565	0.100	2	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|S<2>,2|N<2>}	118.0330	0.000	1	118.2565	0.100	2	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CH3){1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]C)(N[6a]C[6a]C)(O){1|N<2>,1|S<2>}	121.1220	0.000	1	121.1220	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	116.9290	0.000	1	116.9290	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	115.4290	0.000	1	115.4290	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]O)(CH3){1|C<3>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,2|N<3>}	115.4610	0.000	1	115.4610	0.000	1	117.8674	1.550	120	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.0755	0.831	16	115.9978	0.662	39	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.4450	0.441	2	115.9978	0.662	39	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	115.7486	0.807	18	115.9978	0.662	39	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	116.8835	0.069	2	115.9978	0.662	39	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.5770	0.000	1	115.9978	0.662	39	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>}	116.0430	0.426	2	116.0430	0.181	2	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	115.8948	0.296	4	116.2269	0.531	207	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.2351	0.733	194	116.2269	0.531	207	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	116.2570	0.687	6	116.2269	0.531	207	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	116.0837	1.128	3	116.2269	0.531	207	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.3640	0.000	1	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.3436	1.232	5	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	116.7527	1.521	3	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	117.1261	0.457	19	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	117.4130	0.000	1	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.0280	0.000	1	117.1059	0.544	30	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.3514	0.752	8	116.6683	0.366	24	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.8268	0.465	16	116.6683	0.366	24	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.3885	1.312	2	116.8673	1.548	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	117.8250	0.000	1	116.8673	1.548	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]2)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	115.1510	0.000	1	115.1510	0.000	1	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<2>,2|C<3>}	117.1135	0.238	2	117.1135	0.057	2	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.0570	0.229	2	117.6905	0.204	4	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.3240	0.151	2	117.6905	0.204	4	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	118.7085	0.582	2	118.1193	1.211	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]Pt)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<1>}	116.9410	0.000	1	118.1193	1.211	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	116.8530	0.031	2	116.8530	0.001	2	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	116.2610	0.303	2	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	115.4410	0.000	1	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	117.3911	0.496	9	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	113.6405	0.005	2	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	118.3930	0.000	1	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.0368	1.331	6	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.6672	0.561	10	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.8482	0.694	6	116.5984	1.289	37	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	118.3610	0.000	1	117.9808	0.466	5	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.3900	0.000	1	117.9808	0.466	5	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	118.9410	0.000	1	117.9808	0.466	5	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|Cl<1>,1|C<3>,1|O<1>}	117.8960	0.000	1	117.9808	0.466	5	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	117.3160	0.000	1	117.9808	0.466	5	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	117.3850	0.745	2	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	117.3816	0.540	9	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	117.0105	0.300	4	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.2231	0.674	9	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<4>,1|O<1>}	119.7485	0.457	2	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<2>,1|O<1>}	116.5890	0.000	1	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.9873	0.753	7	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	116.7050	0.229	2	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	115.8600	0.000	1	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	117.2306	0.740	10	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	117.3490	0.625	2	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	116.7082	0.578	6	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|O<1>,1|O<2>}	117.0660	0.963	2	117.0334	0.775	57	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.9180	0.000	1	115.9350	0.211	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	115.9435	0.650	2	115.9350	0.211	3	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	117.0775	0.578	2	117.0775	0.334	2	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)(C[6a]O[6a]O)(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|O<2>,2|O<1>}	118.1500	0.000	1	118.1500	0.000	1	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	117.6950	0.294	2	117.8094	0.324	14	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.8285	0.610	12	117.8094	0.324	14	116.5399	0.853	436	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3)	C(N[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a]O)(N[6a]C[6a]2)(CH3){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a]N[6a])(H)3	C[6a](C[6a]C[6a]H)(N[6a]N[6a]C)(O){1|N<3>,2|C<3>}	118.7490	0.000	1	118.7490	0.000	1	118.7490	0.000	1	117.6355	2.183	1401	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:N-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3)	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CH3){1|C<3>,1|S<1>,2|S<2>}	C(N[6a]C[5,6a]C[6a])(H)3	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	119.4490	0.000	1	119.4490	0.000	1	119.4490	0.000	1	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,1|N<2>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	123.0810	0.000	1	123.0810	0.000	1	123.0810	0.000	1	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:N[6a]-2:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CH3){1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]){1|O<1>,2|H<1>,4|C<3>}	122.3080	0.000	1	122.3080	0.000	1	122.3080	0.000	1	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|N<3>,1|O<1>}	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|N<3>,2|O<1>}	121.3280	0.385	2	121.3280	0.148	2	120.3807	2.766	3	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NZn){1|N<3>,2|O<1>}	118.4860	0.000	1	118.4860	0.000	1	120.3807	2.766	3	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[5a]C[6a])(N[6a]C[6a]C)(OH){1|C<3>,2|N<3>,2|O<1>}	118.1370	0.000	1	118.1370	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(OH){1|N<3>,2|O<1>}	120.7210	0.000	1	120.7210	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPd){1|N<3>,2|O<1>}	120.2220	0.000	1	120.2220	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OPt){1|N<3>,2|O<1>}	120.4330	0.000	1	120.4330	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OCd){1|N<3>,2|O<1>}	118.7690	0.000	1	118.7690	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CH3){1|C<3>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(OSr){1|N<2>,1|N<3>,1|O<1>}	118.1190	0.000	1	118.1190	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	N[6a](C[6a]C[6a]O)2(CH3){1|C<2>,1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	118.1230	0.000	1	118.1230	0.000	1	119.2177	1.420	7	120.2241	3.087	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]C[6a])(CH3){1|H<1>,6|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){2|H<1>,7|C<3>}	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3){1|H<1>,1|O<2>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(H)3	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]O){1|O<1>,2|H<1>,4|C<3>}	120.7847	0.262	3	120.7847	0.069	3	120.7847	0.069	3	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	119.6660	0.126	2	119.6660	0.016	2	119.6660	0.016	2	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	120.9920	0.000	1	120.9920	0.000	1	121.2465	0.269	6	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|C<4>,4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[3])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	120.8270	0.000	1	120.8270	0.000	1	121.2465	0.269	6	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){5|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	120.5890	0.000	1	120.5890	0.000	1	121.2465	0.269	6	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CH3){1|H<1>,4|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	121.6260	0.242	2	121.6260	0.058	2	121.2465	0.269	6	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)(CH3){1|H<1>,3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	121.8190	0.000	1	121.8190	0.000	1	121.2465	0.269	6	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	121.4085	0.005	2	121.4085	0.000	2	120.2997	3.689	3	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CHH){1|C<2>,1|N<3>,1|O<1>}	118.0820	0.000	1	118.0820	0.000	1	120.2997	3.689	3	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(NHH){1|N<3>,2|C<3>,2|O<1>}	120.8910	0.000	1	120.8910	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	122.2360	0.000	1	122.2360	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	121.0929	0.695	8	120.7995	0.700	13	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	120.1483	0.926	4	120.7995	0.700	13	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	121.0580	0.000	1	120.7995	0.700	13	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NReH){1|N<3>,2|O<1>}	120.9570	0.000	1	120.9570	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NHH){1|C<3>,1|H<1>,2|N<3>,2|O<1>}	120.6370	0.000	1	120.6370	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(NHH){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	120.4210	0.000	1	120.4210	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NCC){1|N<3>,2|O<1>}	121.4930	0.000	1	121.4930	0.000	1	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	122.0005	1.214	2	122.0005	1.474	2	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCuC){1|N<3>,2|O<1>}	122.5370	0.365	2	122.5370	0.133	2	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	119.9518	0.384	9	120.0224	0.181	10	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	120.6580	0.000	1	120.0224	0.181	10	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NNiH){1|N<3>,2|O<1>}	119.1075	0.260	2	119.1075	0.067	2	120.7012	1.024	35	120.7096	0.982	50	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,1|O<2>}	120.0610	0.000	1	120.0610	0.000	1	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[3])(N[6a]C[6a]C)(CCHH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	122.2040	0.000	1	122.2040	0.000	1	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CH3){3|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(CHHN){1|O<1>,4|C<3>}	121.2130	0.000	1	121.2130	0.000	1	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	119.4380	0.000	1	120.1058	0.255	4	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	120.3283	0.292	3	120.1058	0.255	4	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CH3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CF3){1|N<3>,2|O<1>}	124.3400	0.000	1	124.3400	0.000	1	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.1347	1.273	3	120.1347	1.620	3	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)2(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN)	N[6a](C[6a]C[6a]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CHHN){1|C<3>,1|C<4>,1|O<1>}	119.6277	1.063	3	119.6277	1.129	3	120.5377	2.146	14	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:H-1:H-1:H-1:	C[6a]-3:N[6a]-3:N-4:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3)	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C(N[6a]C[6a]2)(H)3	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NH3){1|N<3>,2|O<1>}	124.0465	0.127	2	124.0465	0.016	2	124.0465	0.016	2	120.9763	3.297	16	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OSi)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(OSi)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>}	115.8630	0.168	2	115.8630	0.028	2	115.8630	0.028	2	118.3858	5.341	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:S-2:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	C(N[6a]C[6a]2)(SC)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	C(N[6a]C[6a]2)(SC)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.0677	0.244	3	120.0677	0.060	3	120.0677	0.060	3	118.3858	5.341	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC[5,6])(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(OC[5,6])(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	118.1260	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:2:2:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-2:N-2:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)(CHHO){1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a])(NC){1|C<3>,1|N<2>,1|O<1>}	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	119.8880	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO)	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CHHO){1|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	116.6940	0.000	1	116.6940	0.000	1	116.6940	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	116.4450	0.578	2	116.4450	0.335	2	117.1772	0.695	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.2820	0.957	2	117.2820	0.917	2	117.1772	0.695	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	117.3910	0.000	1	117.3910	0.000	1	117.1772	0.695	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	118.2180	0.000	1	118.2180	0.000	1	117.1772	0.695	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CHHO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	116.1000	0.000	1	116.1000	0.000	1	116.1000	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	118.0010	0.156	2	118.0010	0.024	2	117.9700	0.015	3	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CHHO){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(OC[5])(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	117.9080	0.000	1	117.9080	0.000	1	117.9700	0.015	3	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<2>,1|C<3>,1|H<1>}	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	116.9030	0.000	1	116.9030	0.000	1	116.9030	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(OC[5,6])(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:I-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]I)(CHHO){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(I){1|O<1>,2|C<3>}	121.5200	0.000	1	121.5200	0.000	1	121.5200	0.000	1	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|O<1>}	116.7394	0.479	5	116.7394	0.229	5	116.8092	0.212	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<3>,1|O<1>}	117.1580	0.000	1	117.1580	0.000	1	116.8092	0.212	6	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:S-2:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS)	C(N[6a]C[6a]2)(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CHHS){2|C<3>}	C(N[6a]C[6a]2)(SC)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	118.1780	0.452	3	118.1780	0.205	3	118.1780	0.205	3	117.7717	2.241	27	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-2:H-1:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CC)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CN){1|C<3>,1|H<1>,1|O<1>}	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	120.7160	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[5a,6a]-3:N[6a]-3:C[4]-4:	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OSi)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H)	N[6a](C[6a]C[5a,6a]C[4])(C[6a]N[6a]O)(CHHO){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(N[6a]C[6a]2)(OSi)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(C[4]C[4]2H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	119.9575	0.141	2	119.9575	0.020	2	119.9575	0.020	2	120.9201	0.474	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:2:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:O-2:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO)	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(OC)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(CC[6a]HH){1|N<3>,2|O<1>}	121.3052	0.239	5	121.3052	0.057	5	121.3052	0.057	5	120.9201	0.474	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.2195	0.938	2	119.2195	0.880	2	119.2195	0.880	2	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	117.6660	0.000	1	117.6660	0.000	1	119.0090	3.607	2	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.3520	0.000	1	120.3520	0.000	1	119.0090	3.607	2	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	119.2190	0.000	1	119.2190	0.000	1	119.2190	0.000	1	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|O<1>}	119.6555	0.108	2	119.6555	0.012	2	119.6703	0.007	3	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.7000	0.000	1	119.7000	0.000	1	119.6703	0.007	3	119.3359	0.727	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	121.3005	0.073	2	121.3005	0.005	2	121.3005	0.005	2	121.0933	0.131	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC){1|C<3>,1|N<2>,1|O<1>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	121.0933	0.131	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	123.4960	0.000	1	123.4960	0.000	1	123.4960	0.000	1	122.0131	0.486	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	122.0131	0.486	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	121.8609	0.492	7	121.8609	0.242	7	121.8609	0.242	7	122.0131	0.486	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	122.2930	0.000	1	122.2930	0.000	1	122.2930	0.000	1	122.0131	0.486	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCHN){1|O<1>,2|C<3>}	122.0600	0.000	1	122.0600	0.000	1	122.0600	0.000	1	121.0780	1.929	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	2:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-2:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	120.0960	0.000	1	120.0960	0.000	1	120.0960	0.000	1	121.0780	1.929	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CCHH){1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	119.6510	0.000	1	119.6510	0.000	1	119.7210	0.010	2	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|O<1>,2|N<3>}	119.7910	0.000	1	119.7910	0.000	1	119.7210	0.010	2	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(O[6a]C[6a])(O){1|C<3>,1|C<4>,1|O<1>}	116.1485	0.029	2	116.1485	0.001	2	116.1485	0.001	2	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|C<4>}	114.4650	0.000	1	114.4650	0.000	1	118.6971	3.192	9	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|O<2>}	118.5775	0.030	2	119.4244	0.531	7	118.6971	3.192	9	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	119.3880	0.149	3	119.4244	0.531	7	118.6971	3.192	9	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.3260	0.280	2	119.4244	0.531	7	118.6971	3.192	9	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,2|H<1>}	117.8380	0.000	1	117.8380	0.000	1	118.6971	3.192	9	118.6559	3.595	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	122.3150	0.000	1	121.9137	0.127	3	121.9137	0.127	3	121.9137	0.127	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:S-2:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<1>}	121.7130	0.109	2	121.9137	0.127	3	121.9137	0.127	3	121.9137	0.127	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NCH){1|N<3>,2|O<1>}	122.4580	0.000	1	122.4580	0.000	1	122.4580	0.000	1	121.3100	0.990	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a]-3:N[6a]-2:N[6a]-3:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a,6a])(N[6a]C[6a]C){1|C<4>,1|O<1>,5|C<3>}	120.7360	0.057	2	120.7360	0.003	2	120.7360	0.003	2	121.3100	0.990	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CH3){1|C<3>,1|C<4>,1|O<1>}	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	121.2920	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	114.4950	0.000	1	114.4950	0.000	1	114.4950	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CCHH){5|C<3>}	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	116.0125	1.104	2	116.0125	1.218	2	116.0125	1.218	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|C<4>,1|S<2>,3|C<3>}	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	116.1800	0.000	1	116.1800	0.000	1	117.1615	1.715	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O)	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a,6a]O)(CC[6a]HH){5|C<3>}	C(N[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5,6a]C)(O){1|H<1>,4|C<3>}	117.4887	1.389	3	117.4887	1.930	3	117.1615	1.715	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCHH){1|Br<1>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|N<2>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|N<3>,1|O<2>,3|C<3>}	116.9050	0.000	1	116.9050	0.000	1	118.5323	3.126	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	118.7825	2.310	2	118.7825	5.337	2	118.5323	3.126	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[5a,6a]C)(O){1|H<1>,1|N<3>,3|C<3>}	119.6590	0.000	1	119.6590	0.000	1	118.5323	3.126	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC[6a]HH){1|Br<1>,1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	120.7633	0.329	3	120.7633	0.108	3	120.7633	0.108	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(N[6a]C[6,6a]C[6a])(CC[6a]O)(H)2	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]H)(O){1|C<3>,2|C<4>}	115.0640	0.000	1	115.0640	0.000	1	115.0640	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	115.2450	0.000	1	115.2450	0.000	1	115.6685	0.359	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){1|N<3>,4|C<3>}	116.0920	0.000	1	116.0920	0.000	1	115.6685	0.359	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.8465	0.391	2	116.8465	0.153	2	116.5900	0.274	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.0770	0.000	1	116.0770	0.000	1	116.5900	0.274	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.2800	0.000	1	117.2800	0.000	1	117.0017	0.294	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	116.3770	0.000	1	116.3770	0.000	1	117.0017	0.294	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(COO)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.3480	0.000	1	117.3480	0.000	1	117.0017	0.294	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[5a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH)	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.2810	0.923	3	117.2810	0.852	3	117.2810	0.852	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]O)(CC[6a]HH){1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	116.2770	0.000	1	116.2770	0.000	1	116.2770	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]2)(N[6a]C[6a,6a]C)(O){1|C<4>,4|C<3>}	117.2430	0.000	1	117.2430	0.000	1	117.3610	0.028	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6,6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a,6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	117.4790	0.000	1	117.4790	0.000	1	117.3610	0.028	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	118.3270	0.000	1	118.3270	0.000	1	116.7315	1.843	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.1997	1.033	3	116.1997	1.068	3	116.7315	1.843	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[5a,6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	115.8785	0.002	2	115.8785	0.000	2	115.8785	0.000	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	117.5370	0.000	1	117.5370	0.000	1	116.4767	0.861	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]HH){1|H<1>,1|O<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	115.9465	0.189	2	115.9465	0.036	2	116.4767	0.861	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	116.2100	0.000	1	116.2100	0.000	1	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|I<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]I)(O){3|C<3>}	118.0600	0.000	1	118.0600	0.000	1	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.7067	0.666	4	117.6371	0.239	7	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.5443	0.168	3	117.6371	0.239	7	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){2|C<3>}	117.0600	0.000	1	116.9488	0.660	8	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	116.8283	0.910	6	116.9488	0.660	8	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|H<1>,2|C<3>}	117.5600	0.000	1	116.9488	0.660	8	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	116.4340	0.000	1	116.4340	0.000	1	117.2086	0.600	18	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	116.7815	0.292	2	116.7815	0.085	2	116.9880	0.171	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CC[6a]HH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	117.4010	0.000	1	117.4010	0.000	1	116.9880	0.171	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	115.8560	0.000	1	115.8560	0.000	1	117.5747	1.932	6	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	119.0535	1.255	2	119.0535	1.575	2	117.5747	1.932	6	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH)	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CC[5a]HH){2|C<3>}	C(C[5a]C[5a]O[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.7610	0.000	1	116.7610	0.000	1	117.5747	1.932	6	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[5a]HH){3|C<3>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.3620	0.071	2	117.3620	0.005	2	117.5747	1.932	6	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	117.9390	0.000	1	117.9390	0.000	1	118.8143	1.500	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.2900	0.000	1	118.2900	0.000	1	118.8143	1.500	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2140	0.000	1	120.2140	0.000	1	118.8143	1.500	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	118.3390	0.000	1	118.3390	0.000	1	117.6433	0.789	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CC[5a]HH){1|C<3>,1|C<4>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<2>,2|C<4>}	116.6430	0.000	1	116.6430	0.000	1	117.6433	0.789	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	117.9480	0.000	1	117.9480	0.000	1	117.6433	0.789	3	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH)	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	116.8110	0.000	1	116.8110	0.000	1	116.6180	0.074	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH)	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[5a]HH){1|C<3>,2|C<4>}	C(C[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	116.4250	0.000	1	116.4250	0.000	1	116.6180	0.074	2	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	116.9970	0.555	4	116.9970	0.308	4	116.9970	0.308	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	119.2330	0.000	1	119.2330	0.000	1	119.2330	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){4|C<3>}	116.4145	0.037	2	116.4145	0.001	2	116.8249	1.901	7	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	119.1960	0.000	1	119.1960	0.000	1	116.8249	1.901	7	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	115.3340	0.000	1	115.3340	0.000	1	116.8249	1.901	7	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	118.2700	0.000	1	118.2700	0.000	1	116.8249	1.901	7	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	116.0725	0.043	2	116.0725	0.002	2	116.8249	1.901	7	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){4|C<3>}	114.9640	0.000	1	114.9640	0.000	1	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.6660	0.000	1	116.6660	0.000	1	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[6a]HH){2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	118.3230	0.000	1	118.3230	0.000	1	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.1110	0.424	2	118.1110	0.180	2	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	116.5450	0.000	1	116.5450	0.000	1	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.5580	0.812	13	117.6107	0.648	14	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	118.2960	0.000	1	117.6107	0.648	14	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,3|C<3>}	116.3760	0.000	1	116.4606	0.180	7	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	116.5630	0.458	5	116.4606	0.180	7	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CC[6a]HH){4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	116.0330	0.000	1	116.4606	0.180	7	117.2035	0.943	27	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]O)(C[6a]C[6a]H)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a]C)(H){1|O<1>,1|O<2>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.2710	0.743	7	118.2710	0.552	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.1690	0.000	1	120.0200	0.544	3	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.4810	0.000	1	120.0200	0.544	3	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.4100	0.000	1	120.0200	0.544	3	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.8017	0.279	3	118.6480	1.245	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	117.7827	0.331	4	118.6480	1.245	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a]C)(H){1|C<3>,1|O<1>}	119.9870	0.000	1	119.9870	0.000	1	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2670	0.760	3	119.9688	0.456	5	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.5215	0.049	2	119.9688	0.456	5	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.2630	0.000	1	121.2630	0.000	1	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.4687	0.918	3	120.2316	0.376	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	119.9920	0.000	1	120.2316	0.376	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.0743	0.368	3	120.2316	0.376	7	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.0468	1.137	4	120.0468	1.293	4	119.4719	1.305	36	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|O<2>}	116.3550	0.000	1	116.3550	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	116.7320	0.000	1	116.7320	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(O){1|C<4>,3|C<3>}	114.7130	0.000	1	114.7130	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	118.9545	0.432	4	118.4772	1.279	5	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.5680	0.000	1	118.4772	1.279	5	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	119.0250	0.000	1	117.8374	0.485	5	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	117.6220	0.219	3	117.8374	0.485	5	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,2|C<3>}	117.2960	0.000	1	117.8374	0.485	5	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]HH){1|Cl<1>,1|Pd<4>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]Pd)(N[6a]C[6a]C)(O){1|C<3>,1|H<1>}	118.0800	0.000	1	118.0800	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|S<2>}	116.0600	0.000	1	116.3723	0.146	3	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,2|C<3>}	116.5285	0.383	2	116.3723	0.146	3	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	117.7059	0.513	10	117.7059	0.263	10	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<1>}	117.7740	0.000	1	117.6850	0.194	4	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	117.6553	0.534	3	117.6850	0.194	4	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	117.2420	0.000	1	117.2420	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CC[6a]HH){1|C<3>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,1|S<2>}	117.6140	0.088	2	117.6140	0.008	2	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]O[6a]O)(CC[6a]HH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,1|O<2>}	119.4990	0.008	2	119.4990	0.000	2	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	119.0830	0.000	1	119.0830	0.000	1	117.7005	1.087	37	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	114.2200	0.000	1	114.2200	0.000	1	114.2200	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[6,6a]O)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6,6a]C[6,6a]C[5,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	115.9560	0.000	1	115.9560	0.000	1	115.9560	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	115.7740	0.000	1	115.7740	0.000	1	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	116.7765	0.131	2	116.7765	0.017	2	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	116.5630	0.000	1	116.5630	0.000	1	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.5627	1.067	3	118.4769	0.551	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.6180	0.000	1	118.4769	0.551	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.6773	0.270	3	118.4769	0.551	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	118.2557	0.234	3	118.3924	0.075	5	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	118.5975	0.226	2	118.3924	0.075	5	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	116.6950	0.000	1	116.6950	0.000	1	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	115.1890	0.000	1	115.1890	0.000	1	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|N<3>,1|O<1>}	115.8310	1.666	7	115.8310	2.776	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|C<4>,1|O<1>}	117.3060	0.000	1	117.1637	0.257	15	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.1257	0.200	3	117.1637	0.257	15	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.1611	0.591	11	117.1637	0.257	15	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	117.3240	0.000	1	117.3240	0.000	1	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<2>,1|N<3>,1|O<1>}	116.9440	0.000	1	117.6373	1.051	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CC[6a]HH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.7528	1.072	6	117.6373	1.051	7	117.2527	1.493	48	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH)	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.5880	0.000	1	117.5880	0.000	1	117.5880	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	114.3813	1.348	6	114.3813	1.817	6	115.5114	3.203	10	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]C)(CCHH){1|C<3>,1|S<2>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,2|C<3>}	116.7890	0.000	1	116.7890	0.000	1	115.5114	3.203	10	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,2|H<1>,2|N<2>}	117.1090	0.143	2	117.1090	0.020	2	115.5114	3.203	10	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	117.8190	0.000	1	117.8190	0.000	1	115.5114	3.203	10	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a,6a]O)(CCHH){1|N<3>,3|C<3>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	117.1235	0.077	2	117.1235	0.006	2	117.5547	1.655	16	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	118.6440	0.000	1	118.6440	0.000	1	117.5547	1.655	16	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,3|N<2>}	116.6730	0.000	1	116.6730	0.000	1	117.5547	1.655	16	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.8118	1.866	4	117.8118	3.483	4	117.5547	1.655	16	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.5081	1.296	8	117.5081	1.680	8	117.5547	1.655	16	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.3480	0.000	1	120.3480	0.000	1	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.4943	1.166	3	120.4943	1.361	3	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.5600	1.016	3	119.5600	1.032	3	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.5657	1.746	4	119.6142	1.849	6	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<2>,1|O<1>,1|O<2>}	119.7110	0.259	2	119.6142	1.849	6	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.0572	0.655	4	120.1189	0.220	7	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	120.2010	0.016	3	120.1189	0.220	7	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	119.7190	0.115	2	119.3205	0.287	4	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	118.9220	0.462	2	119.3205	0.287	4	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.6435	0.097	2	120.6435	0.009	2	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>}	120.5540	0.000	1	120.5540	0.000	1	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.9657	0.786	3	119.9657	0.617	3	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0156	1.048	5	121.0156	1.099	5	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.3559	1.234	7	121.3559	1.522	7	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.3335	0.747	10	119.3335	0.558	10	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.0590	0.865	3	121.0590	0.749	3	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.4384	1.155	12	120.4384	1.335	12	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|C<3>,2|I<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]I)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.7665	0.753	2	119.7665	0.567	2	120.2018	1.229	69	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	116.2580	0.000	1	116.2580	0.000	1	116.7244	0.917	8	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.4070	0.000	1	116.4070	0.000	1	116.7244	0.917	8	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.9533	1.377	3	116.9533	1.896	3	116.7244	0.917	8	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	116.7567	1.036	3	116.7567	1.073	3	116.7244	0.917	8	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	115.1280	0.000	1	115.1280	0.000	1	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	119.1792	1.733	4	119.0099	1.231	10	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.8685	0.487	4	119.0099	1.231	10	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.9540	1.073	2	119.0099	1.231	10	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.1340	0.839	2	118.1340	0.703	2	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.8167	1.039	3	117.7641	1.287	8	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CNO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.1326	0.619	5	117.7641	1.287	8	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.3606	1.156	7	118.0696	1.603	20	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.7111	1.238	10	118.0696	1.603	20	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(COO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.5860	0.392	3	118.0696	1.603	20	118.1708	1.727	41	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C(N[6a]C[6a]2)(C[6]C[6]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.1797	0.522	4	117.1797	0.272	4	117.1797	0.272	4	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	116.8000	0.000	1	116.8000	0.000	1	116.8000	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[5]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH)	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CN[5]HH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(N[5]C[5]2)(H)2	C[6a](N[6a]C[6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	117.3930	0.000	1	117.3930	0.000	1	117.3930	0.000	1	118.0726	3.014	389	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OCo){1|H<1>,1|O<1>,3|C<3>}	118.1060	0.881	2	118.1060	0.776	2	118.2915	0.342	4	118.3358	0.267	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OMn){1|H<1>,1|O<1>,3|C<3>}	118.2390	0.000	1	118.2390	0.000	1	118.2915	0.342	4	118.3358	0.267	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH)	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn)	N[6a](C[6a]C[6a,6a]O)2(CC[6]HH){3|C<3>}	C(C[6]C[6]N[6])(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OZn){1|H<1>,1|O<1>,3|C<3>}	118.7150	0.000	1	118.7150	0.000	1	118.2915	0.342	4	118.3358	0.267	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-2:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a])	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(NC[6a]){1|C<4>,2|N<3>,2|O<1>}	118.5130	0.000	1	118.5130	0.000	1	118.5130	0.000	1	118.3358	0.267	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:C[6a]-3:	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2)	N[6a](C[5a,6a]N[5a,6a,6a]C[5a])(C[6a]C[6a]2)(CCHH){1|H<1>,1|N<2>,5|C<3>}	C(N[6a]C[5a,6a]C[6a])(COO)(H)2	C[6a](C[6a]C[6a,6a]H)(N[6a]C[5a,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.5150	0.000	1	120.5150	0.000	1	121.1433	0.316	3	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH){1|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.4575	0.197	2	121.4575	0.039	2	121.1433	0.316	3	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|S<2>,4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	120.6010	0.083	2	120.6010	0.007	2	120.5008	0.399	5	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]2)(CC[6a]HH){1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,6|C<3>}	121.3520	0.000	1	121.3520	0.000	1	120.5008	0.399	5	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)2(CC[6a]HH){2|I<1>,5|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	119.9750	0.542	2	119.9750	0.293	2	120.5008	0.399	5	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|C<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NHH){1|O<1>,2|C<3>}	119.8650	0.464	2	119.8650	0.215	2	120.7255	2.101	4	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(CC[6a]HH){1|C<2>,1|C<3>,1|N<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|C<3>,1|O<1>,1|S<2>}	120.3360	0.000	1	120.3360	0.000	1	120.7255	2.101	4	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	122.8360	0.000	1	122.8360	0.000	1	120.7255	2.101	4	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:N[6]-3:	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(N[6]C[6]2){1|N<3>,2|C<4>,2|O<1>,4|H<1>}	121.0063	1.210	6	121.0063	1.463	6	121.0063	1.463	6	120.6825	1.333	19	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH)	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]S[5a])(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	121.8138	0.740	6	121.8138	0.548	6	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	120.4530	0.000	1	120.4530	0.000	1	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	120.8410	0.000	1	120.8410	0.000	1	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]N[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>}	123.0370	0.000	1	123.0370	0.000	1	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|N<3>,2|O<1>}	121.6550	0.000	1	121.6550	0.000	1	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]C)(CC[6a]HH){3|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[5a,6a]C)(N[6a]C[6a]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	122.0180	0.000	1	122.0180	0.000	1	121.7170	0.700	11	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[5a,6a]H)(N[6a]C[6a]C)(CCHH){1|C<3>,1|N<3>,1|O<1>}	121.1087	1.352	6	121.1087	1.827	6	121.2981	2.051	8	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.3890	0.000	1	120.3890	0.000	1	121.2981	2.051	8	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-3:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CC[6a]O)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<4>,1|N<2>,1|O<1>}	123.3440	0.000	1	123.3440	0.000	1	121.2981	2.051	8	121.5341	1.168	20	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6a]CH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)(H)	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.3400	0.000	1	117.3400	0.000	1	117.3400	0.000	1	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	122.5650	1.096	3	122.5130	0.812	4	122.5130	0.812	4	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	122.3570	0.000	1	122.5130	0.812	4	122.5130	0.812	4	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	115.4493	1.139	3	115.1303	1.272	4	115.1303	1.272	4	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	114.1730	0.000	1	115.1303	1.272	4	115.1303	1.272	4	118.9614	13.950	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:N[6a]-3:C-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|N<3>,2|O<1>}	118.5085	2.115	2	118.5085	4.473	2	118.5085	4.473	2	118.8980	2.118	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	118.8980	2.118	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	117.7190	0.000	1	117.7190	0.000	1	117.7190	0.000	1	118.8980	2.118	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	N[6a]-3:C[6a]-3:P-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP)	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a]C)(CC[6a]HP){1|O<1>,2|C<3>}	C(N[6a]C[6a]N[6a])(C[6a]C[6a]2)(PC[6a]PdC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	119.4370	0.000	1	119.4370	0.000	1	119.4370	0.000	1	118.8980	2.118	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6a]-3:C-4:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](N[6a]C[5,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|N<3>}	119.0610	0.000	1	119.0610	0.000	1	119.1132	0.034	5	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	119.0410	0.000	2	119.0410	0.000	2	119.1132	0.034	5	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.4370	0.000	1	119.4370	0.000	1	119.1132	0.034	5	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	118.9860	0.000	1	118.9860	0.000	1	119.1132	0.034	5	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	119.5245	0.646	2	119.5245	0.417	2	119.6763	0.278	3	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	119.9800	0.000	1	119.9800	0.000	1	119.6763	0.278	3	119.3244	0.183	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	120.9650	0.000	1	120.9650	0.000	1	121.7470	1.223	2	122.0988	0.665	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	122.5290	0.000	1	122.5290	0.000	1	121.7470	1.223	2	122.0988	0.665	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	123.0850	0.000	1	123.0850	0.000	1	122.3333	0.512	3	122.0988	0.665	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(SC){1|C<3>,1|N<3>,1|O<1>}	121.6600	0.000	1	121.6600	0.000	1	122.3333	0.512	3	122.0988	0.665	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:S-2:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	122.2550	0.000	1	122.2550	0.000	1	122.3333	0.512	3	122.0988	0.665	5	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	123.0760	0.000	1	123.0760	0.000	1	122.6030	0.291	3	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CF3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CF3)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	122.7170	0.000	1	122.7170	0.000	1	122.6030	0.291	3	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	122.0160	0.000	1	122.0160	0.000	1	122.6030	0.291	3	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:C-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(CCC){1|C<3>,1|N<2>,1|O<1>}	119.2010	0.000	1	119.2010	0.000	1	119.2010	0.000	1	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	122.1570	0.000	1	122.1570	0.000	1	122.3918	0.060	5	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	122.4505	0.240	4	122.4505	0.057	4	122.3918	0.060	5	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|C<3>,1|O<1>,1|S<2>,2|C<4>,4|H<1>}	122.6640	0.000	1	122.6640	0.000	1	122.6640	0.000	1	122.1633	1.188	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[6]-4:H-1:H-1:	N[6a]-3:N[6a]-2:H-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	121.3390	0.000	1	121.3390	0.000	1	121.3390	0.000	1	118.9053	3.502	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:O[6a]-2:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	C[6a](N[6a]C[6a,6a]C)(O[6a]C[6a])(O){1|O<1>,2|C<3>}	114.1400	0.000	1	114.1400	0.000	1	114.1400	0.000	1	118.9053	3.502	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	119.3021	0.514	7	119.1968	0.316	8	119.1968	0.316	8	118.9053	3.502	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|H<1>,2|C<3>}	118.4590	0.000	1	119.1968	0.316	8	119.1968	0.316	8	118.9053	3.502	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:2:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-2:C-4:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(CHHN){1|C<3>,1|O<1>,1|S<2>}	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|H<1>,2|C<3>}	115.3385	0.384	2	115.3385	0.147	2	116.7507	1.942	8	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<2>}	117.0400	0.000	1	117.0400	0.000	1	116.7507	1.942	8	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	118.4490	0.000	1	118.4490	0.000	1	116.7507	1.942	8	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|O<2>}	117.5567	1.011	3	117.5567	1.021	3	116.7507	1.942	8	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|P<4>}	115.1700	0.000	1	115.1700	0.000	1	116.7507	1.942	8	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	119.8090	0.000	1	119.8090	0.000	1	119.8090	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(C[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>}	119.8310	0.000	1	119.8310	0.000	1	119.8310	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.8500	0.182	2	119.8500	0.033	2	119.7042	0.126	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	119.6140	0.000	1	119.6140	0.000	1	119.7042	0.126	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	119.1570	0.000	1	119.1570	0.000	1	119.7042	0.126	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[5a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	120.0500	0.000	1	120.0500	0.000	1	119.7042	0.126	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	C[6a](N[6a]C[6,6a]C)(C[6a]C[6a]Br)(O){1|C<4>,2|C<3>}	114.6210	0.000	1	114.6210	0.000	1	114.6210	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|O<1>,2|C<3>}	116.5970	0.000	2	116.5970	0.000	2	117.4814	0.663	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	118.2230	0.000	1	118.2230	0.000	1	117.4814	0.663	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|N<2>,1|O<1>}	118.0680	0.000	1	118.0680	0.000	1	117.4814	0.663	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	117.9220	0.000	1	117.9220	0.000	1	117.4814	0.663	5	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.6730	0.204	2	116.6730	0.041	2	116.6730	0.041	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C)(O){1|H<1>,4|C<3>}	115.7505	0.476	2	115.7505	0.226	2	115.7505	0.226	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	118.3560	0.000	1	118.3560	0.000	1	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){1|S<2>,3|C<3>}	117.5710	0.000	1	117.2765	0.173	2	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.9820	0.000	1	117.2765	0.173	2	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	117.1340	0.000	1	117.1340	0.000	1	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.5240	0.000	1	116.5240	0.000	1	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	115.3720	0.000	1	115.3720	0.000	1	116.9898	1.012	6	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.1520	0.000	1	119.1520	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	119.1190	0.000	1	119.1190	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	116.3810	0.000	1	116.3810	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	117.5060	0.085	2	118.6863	0.670	38	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	118.7519	0.790	36	118.6863	0.670	38	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(H){1|O<1>,2|C<3>}	126.9210	0.000	1	126.9210	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]N)(H){1|O<1>,2|C<3>}	118.7210	0.000	1	118.7210	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	117.9610	0.000	1	117.9610	0.000	1	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:H-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	120.1401	0.447	20	120.1401	0.200	20	119.2365	1.993	64	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	117.1235	0.074	2	117.1235	0.006	2	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	117.1860	0.000	1	117.1097	0.020	3	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	117.0715	0.177	2	117.1097	0.020	3	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){3|C<3>}	117.0890	0.000	1	117.0890	0.000	1	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	116.0280	0.000	1	116.3870	0.837	4	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	116.5067	1.081	3	116.3870	0.837	4	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|C<4>,2|C<3>}	116.6840	0.000	1	116.9753	0.165	3	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){1|O<2>,2|C<3>}	117.4390	0.000	1	116.9753	0.165	3	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]C)(O){3|C<3>}	116.8030	0.000	1	116.9753	0.165	3	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]H)(O){1|O<2>,2|C<3>}	117.1520	0.000	1	117.1520	0.000	1	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	117.0510	0.250	2	117.0510	0.063	2	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<4>,2|C<3>}	116.7740	0.182	2	116.7740	0.033	2	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]C)(O){2|C<3>}	116.9680	0.000	1	116.9680	0.000	1	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]N[6a]O)(O){1|C<3>,1|C<4>,1|N<2>}	118.6050	0.000	1	118.6050	0.000	1	116.9757	0.382	20	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C[3]-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]C)(O){4|C<3>}	116.2210	0.335	2	116.2210	0.112	2	116.2210	0.112	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	117.5610	0.000	2	117.5610	0.000	2	117.5610	0.000	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	116.3640	0.000	1	116.3640	0.000	1	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	114.8780	0.000	1	114.8780	0.000	1	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	116.7670	0.869	7	116.8372	0.525	10	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	116.9940	0.276	2	116.8372	0.525	10	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	117.0150	0.000	1	116.8372	0.525	10	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	115.6520	0.000	1	115.6520	0.000	1	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	116.9390	0.000	1	116.9390	0.000	1	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	114.3970	0.000	1	114.3970	0.000	1	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	116.0740	0.102	2	116.0740	0.010	2	116.3971	0.877	17	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(O){2|S<1>,3|N<3>}	115.4730	0.000	1	115.4730	0.000	1	116.5010	2.114	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	117.5290	0.000	1	117.5290	0.000	1	116.5010	2.114	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)2(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){2|H<1>,3|C<3>}	118.6920	0.047	2	118.6920	0.002	2	118.6920	0.002	2	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	114.3795	0.471	4	114.3795	0.222	4	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,2|C<3>,2|N<2>}	117.6560	0.000	1	117.6560	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|C<3>,2|H<1>,2|N<2>}	119.9930	0.000	2	119.9930	0.000	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	118.4300	0.000	1	118.4300	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	119.4190	0.000	1	119.4190	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.8160	0.000	1	116.8160	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	116.6163	0.342	4	116.6163	0.117	4	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	116.6180	0.849	2	116.6180	0.720	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CN[6]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	116.2060	0.000	1	116.2060	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	116.5860	0.000	1	116.5860	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCCH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.3670	1.953	2	117.3670	3.814	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Br<1>,1|O<1>,3|C<3>}	117.0660	0.165	2	117.3545	0.154	10	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCFF)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4266	0.406	8	117.3545	0.154	10	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Br<1>,1|O<1>,3|C<3>}	116.6290	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<2>,1|O<1>,3|C<3>}	117.6090	0.130	2	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|C<4>,1|O<1>,3|C<3>}	116.8350	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|Cl<1>,1|O<1>,3|C<3>}	116.6610	0.018	2	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.0880	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4323	0.962	65	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	116.9260	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	116.8900	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,1|P<4>,3|C<3>}	117.4290	0.000	1	117.3925	0.843	75	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,3|C<3>}	118.1800	3.254	2	117.8250	4.184	4	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[5a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	117.4700	1.208	2	117.8250	4.184	4	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	117.6085	0.377	2	117.6085	0.142	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.5915	1.112	2	117.5915	1.237	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.3722	0.977	4	117.3722	0.955	4	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4790	0.922	2	117.4790	0.850	2	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4745	0.703	10	117.4745	0.495	10	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.2995	1.298	6	117.2995	1.684	6	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CHHS)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4805	0.632	12	117.4805	0.400	12	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	115.2850	0.000	1	115.2850	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CF3)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	115.5520	0.000	1	115.5520	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,3|C<3>}	116.8930	0.000	1	116.8930	0.000	1	117.3148	1.166	150	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	120.7062	0.322	4	120.7062	0.103	4	120.7062	0.103	4	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.2150	0.000	1	118.2150	0.000	1	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.1767	0.631	10	120.3882	0.381	24	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.5374	0.606	13	120.3882	0.381	24	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	120.5640	0.000	1	120.3882	0.381	24	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C[5])(N[6a]C[6a]C)(H){1|C<3>,1|N<3>,1|S<2>,2|O<1>}	119.8554	0.799	5	119.8554	0.639	5	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]F)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.4677	0.945	3	119.4677	0.892	3	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	120.3399	0.391	7	120.6134	0.302	12	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.9964	0.537	5	120.6134	0.302	12	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2320	0.245	2	120.2320	0.060	2	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2716	0.867	5	120.2716	0.751	5	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.6300	0.000	1	120.6300	0.000	1	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.3850	0.000	1	120.3850	0.000	1	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	118.4300	0.000	1	118.4300	0.000	1	120.2590	0.581	56	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	114.9370	0.272	2	114.9370	0.074	2	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	116.8545	0.293	2	116.8545	0.086	2	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[5,6a]H)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>}	118.6740	0.000	1	118.6740	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6,6a]H)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	113.4320	0.000	1	113.4320	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){3|C<3>}	116.4360	0.000	1	116.4360	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	115.9820	0.000	1	115.9820	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	116.4760	1.324	2	116.4760	1.752	2	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a]C)(O){1|C<4>,2|C<3>}	117.0360	0.000	1	117.0360	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	114.5695	1.606	2	114.5695	2.579	2	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,2|C<4>}	115.1760	0.000	1	115.1760	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|S<2>}	116.5290	0.000	1	116.5290	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	119.1080	0.000	1	119.1080	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>}	117.6383	0.705	3	117.6383	0.497	3	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	115.8916	0.462	24	115.8916	0.213	24	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>,2|C<3>}	115.7003	0.346	10	115.7003	0.120	10	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|N<3>,1|O<1>,1|S<1>}	116.3930	0.329	8	116.3930	0.108	8	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|O<2>}	117.9150	0.000	1	117.9150	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](C[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|O<1>,2|N<3>}	118.1490	0.000	1	118.1490	0.000	1	116.1360	1.027	63	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[5,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CClHH)(H)2	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	117.1970	0.000	1	117.1970	0.000	1	117.1970	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6,6a]C[6,6,6a]C[6])(N[6a]C[6a]C)(S){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[5,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	116.5780	0.000	2	116.5780	0.000	2	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	116.3436	0.895	9	116.3436	0.801	9	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[5a,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|O<1>,1|O<2>}	116.0750	0.000	1	116.0750	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6,6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|O<1>}	117.7580	0.000	1	117.7580	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<2>,1|C<3>,1|O<1>}	116.1610	0.000	1	116.1610	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.6793	0.758	10	118.5753	0.712	23	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.9273	1.248	3	118.5753	0.712	23	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.9198	0.540	5	118.5753	0.712	23	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.8114	0.910	5	118.5753	0.712	23	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.8625	0.407	13	117.8625	0.165	13	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.1805	0.165	2	118.1805	0.027	2	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CC[5]HH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.1258	0.600	5	118.1258	0.360	5	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.1960	0.000	1	117.1960	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.6950	0.000	1	118.6950	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C[3])(N[6a]C[6a]C)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	116.9290	0.000	1	116.9290	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|O<1>,1|O<2>}	116.7100	0.000	1	116.7100	0.000	1	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O){1|C<3>,1|H<1>,1|O<1>}	117.3283	0.817	3	117.3283	0.667	3	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.8314	0.626	18	117.8314	0.392	18	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.8016	0.649	12	117.8016	0.421	12	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.8729	0.721	12	117.8729	0.520	12	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a]C)2(O)	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](N[6a]C[6a]C)2(O){1|N<3>,2|O<1>}	117.4272	0.796	14	117.4272	0.634	14	117.7603	0.842	120	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	120.2730	0.276	8	119.6837	0.344	42	119.6837	0.344	42	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](N[6a]C[6a]C)2(S){1|C<3>,2|O<1>}	119.5451	0.554	34	119.6837	0.344	42	119.6837	0.344	42	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C[5]-4:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	117.9504	2.647	580	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[5,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:N-2:	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	C[6a](N[6a]C[5,6a]C)(C[6a]C[6a]S)(NS){1|C<3>,1|F<1>,1|N<2>}	119.2980	0.209	2	119.2980	0.044	2	119.2980	0.044	2	119.6490	2.517	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:N-2:	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[5,6a]C[5,6a]S[5])(N[6a]C[6a]C)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	119.6490	2.517	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi)	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(OLi){1|H<1>,1|O<1>,3|C<3>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	119.6490	2.517	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-2:	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC){1|N<3>,2|O<1>}	122.7910	0.000	1	122.7910	0.000	1	122.7910	0.000	1	119.6490	2.517	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:O-2:	N[6a](C[6a]C[6a]O)2(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi)	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(ONi){1|C<3>,1|C<4>,1|O<1>}	119.3740	0.000	1	119.3740	0.000	1	119.3740	0.000	1	119.6490	2.517	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a,6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	N[6a]-3:C[6a]-3:C[6a]-3:	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	C[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	120.8990	0.000	1	120.8990	0.000	1	120.8990	0.000	1	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(N[6a]C[6a]C){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	120.9545	0.161	2	120.9545	0.026	2	120.9545	0.026	2	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]C){1|O<1>,2|H<1>,4|C<3>}	120.8210	0.000	1	120.8210	0.000	1	121.5675	1.115	2	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]C)(N[6a]C[6a]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	122.3140	0.000	1	122.3140	0.000	1	121.5675	1.115	2	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-3:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]C)(CNO){1|C<4>,1|O<1>,3|C<3>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:N-3:	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NHH){1|N<3>,2|O<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	121.2637	0.300	7	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	121.1790	0.000	1	121.3225	0.041	2	121.3225	0.041	2	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.4660	0.000	1	121.3225	0.041	2	121.3225	0.041	2	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a]C)(CH3){2|O<1>,3|C<3>}	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]N[5a,6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	121.3520	0.000	1	121.3520	0.000	1	121.7234	0.561	7	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	121.6300	0.000	1	121.6300	0.000	1	121.7234	0.561	7	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|O<1>,2|C<3>}	121.1060	0.803	2	121.1060	0.645	2	121.7234	0.561	7	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	122.2485	0.917	2	122.2485	0.841	2	121.7234	0.561	7	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	122.3730	0.000	1	122.3730	0.000	1	121.7234	0.561	7	121.7616	0.569	10	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C(N[6a]C[6a]2)(CCHH)(CC)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	115.0260	0.000	1	115.0260	0.000	1	115.0260	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:O-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:O-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHI)(OC)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.2930	0.000	1	118.2930	0.000	1	118.2930	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:S-2:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.7260	0.000	1	119.7260	0.000	1	119.7260	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:2:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:S-2:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CCHO)(SC)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	119.1360	0.000	1	119.1360	0.000	1	119.1360	0.000	1	118.8415	4.629	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	116.6140	0.000	1	116.6140	0.000	1	117.2584	0.322	9	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.1912	0.576	4	117.1912	0.331	4	117.2584	0.322	9	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.4868	0.559	4	117.4868	0.313	4	117.2584	0.322	9	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|N<2>,1|O<1>}	120.6850	0.000	1	120.6850	0.000	1	119.1807	2.189	3	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	117.7270	0.000	1	117.7270	0.000	1	119.1807	2.189	3	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.1300	0.000	1	119.1300	0.000	1	119.1807	2.189	3	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C(N[6a]C[6a]2)(CH3)(COO)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	119.1960	0.000	1	119.1960	0.000	1	119.0795	0.027	2	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	118.9630	0.000	1	118.9630	0.000	1	119.0795	0.027	2	117.9305	1.413	14	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|N<3>,1|O<1>}	121.6530	0.000	1	122.1225	0.441	2	122.1028	0.669	8	122.1028	0.669	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC){1|C<3>,1|O<1>,1|S<2>}	122.5920	0.000	1	122.1225	0.441	2	122.1028	0.669	8	122.1028	0.669	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	121.6270	1.060	3	122.0962	0.848	6	122.1028	0.669	8	122.1028	0.669	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	121.9520	0.000	1	122.0962	0.848	6	122.1028	0.669	8	122.1028	0.669	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:2:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:O-2:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	122.8720	0.328	2	122.0962	0.848	6	122.1028	0.669	8	122.1028	0.669	8	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[5a]-3:N[6a]-3:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[5a]C[5a]2)(N[6a]C[6a]C){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.3662	0.360	4	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:N-3:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NCH){1|O<1>,2|C<3>}	121.7235	0.675	2	121.7235	0.456	2	121.7235	0.456	2	121.3662	0.360	4	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	2:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-2:N[6a]-3:N[6]-3:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	121.3662	0.360	4	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	117.0400	0.000	1	117.0400	0.000	1	117.1993	0.628	10	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,1|S<2>}	116.8730	0.332	3	116.8730	0.110	3	117.1993	0.628	10	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(O){1|N<3>,1|O<2>,2|N<2>}	117.2278	0.868	4	117.2278	0.753	4	117.1993	0.628	10	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[6a]C[6a]C)(O){1|N<2>,1|O<2>,2|C<3>}	116.6390	0.000	1	116.6390	0.000	1	117.1993	0.628	10	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[5a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a]C)(O){1|N<2>,1|N<3>,2|C<3>}	118.7840	0.000	1	118.7840	0.000	1	117.1993	0.628	10	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(H){1|H<1>,1|S<1>,3|C<3>}	115.9555	0.264	2	115.9555	0.070	2	115.9555	0.070	2	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|S<1>,3|C<3>}	116.3190	0.274	3	116.3190	0.075	3	117.8720	0.755	29	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	118.0985	0.291	2	118.0985	0.084	2	117.8720	0.755	29	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	117.9742	0.931	4	117.9742	0.866	4	117.8720	0.755	29	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|O<1>,3|C<3>}	118.0683	0.772	18	118.0618	0.537	20	117.8720	0.755	29	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(O){1|O<1>,4|C<3>}	118.0030	0.259	2	118.0618	0.537	20	117.8720	0.755	29	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){2|H<1>,3|C<3>}	121.0855	0.367	2	121.0855	0.135	2	120.5390	0.331	5	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a,6a]-3:N[6a]-3:S-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(N[6a]C[6a]2)(CCHH)2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a]C)(S){1|H<1>,1|O<1>,3|C<3>}	120.1747	0.310	3	120.1747	0.096	3	120.5390	0.331	5	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.5813	0.588	3	118.5813	0.346	3	119.2500	1.036	5	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.2530	0.314	2	120.2530	0.099	2	119.2500	1.036	5	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(O){1|C<3>,1|N<3>,1|O<1>}	117.2830	0.203	6	117.2830	0.041	6	117.2830	0.041	6	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	119.1145	1.517	2	119.1145	2.301	2	119.1145	2.301	2	118.0180	1.649	59	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a]C)2{1|H<1>,1|P<3>,2|O<1>,3|C<3>}	120.7990	0.204	6	120.7990	0.042	6	120.7990	0.042	6	120.7990	0.042	6	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:1:	3:3:4:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-3:C-4:	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(N[6a]C[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|O<1>}	121.6393	0.782	3	121.6393	0.612	3	121.6393	0.612	3	121.6393	0.612	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]H)(N[6a]B[6a]C)(H){1|C<3>,1|H<1>,1|N<3>}	115.2395	0.565	2	115.2395	0.319	2	115.2395	0.319	2	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(N[6a]C[6a]2)(CCHH)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(CH3)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.3710	1.305	2	118.3710	1.704	2	119.0993	2.443	3	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.5560	0.000	1	120.5560	0.000	1	119.0993	2.443	3	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<4>,2|C<3>}	116.5152	1.295	4	116.5152	1.677	4	116.2552	1.596	5	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|Fe<10>,1|B<3>,2|C<4>,2|H<1>}	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(N[6a]C[6a]C)(H){1|C<3>,2|C<4>}	115.2150	0.000	1	115.2150	0.000	1	116.2552	1.596	5	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(N[6a]C[6a]2)(CCHH)(CH3)2	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CCHH)(CH3)2	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	121.0160	1.407	2	121.0160	1.980	2	120.1887	3.043	3	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(N[6a]C[6a]2)(CH3)3	C[6a](N[6a]C[6a,6a]H)(N[6a]C[6a]C)(O){1|O<1>,2|C<3>}	118.5340	0.000	1	118.5340	0.000	1	120.1887	3.043	3	117.6630	5.388	13	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C(N[6a]C[6a]2)(CH3)3	C[6a](C[6a]B[6a]H)(C[6a]C[6a]2)(N[6a]C[6a]C){1|C<4>,3|C<3>,3|H<1>}	125.6068	1.244	4	125.6068	1.548	4	125.6068	1.548	4	125.6068	1.548	4	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]C)(N[6a]B[6a]C)(CH3){1|H<1>,2|C<3>}	117.8400	0.836	2	117.8400	0.699	2	117.6057	0.514	3	117.6057	0.514	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:4:	B[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-3:C-4:	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(N[6a]B[6a]C[6a])(CH3)3	C[6a](C[6a]C[6a]C[4])(N[6a]B[6a]C)(CH3){1|Rh<6>,1|C<4>,1|H<1>,1|N<4>,2|C<3>}	117.1370	0.000	1	117.1370	0.000	1	117.6057	0.514	3	117.6057	0.514	3	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	3:4:4:4:	4:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:C-4:C-4:C-4:	C[5]-4:C[6a]-3:N[6a]-3:	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C(N[6a]C[6a]2)(CH3)3	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C)	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|Fe<10>,1|B<3>,2|C<4>,2|H<1>}	C(N[6a]C[6a]2)(CH3)3	C[6a](C[5]C[5]2Fe)(C[6a]B[6a]H)(N[6a]C[6a]C){1|C<3>,3|C<4>,3|H<1>}	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	126.7570	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	2:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-2:N[6a]-3:H-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(H){1|O<1>,2|C<3>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	120.0910	0.063	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:2:1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-2:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<3>}	119.9140	0.000	1	119.9140	0.000	1	119.9140	0.000	1	120.0910	0.063	2	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a,6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]C)(O){1|N<2>,2|C<3>,2|H<1>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.9540	0.000	1	119.9540	0.000	1	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.5980	0.000	1	119.5980	0.000	1	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	119.6910	0.000	1	119.8730	0.604	3	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.9640	1.076	2	119.8730	0.604	3	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	120.6920	0.000	1	120.6920	0.000	1	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(H){1|N<3>,2|O<1>}	119.6950	0.000	1	119.6950	0.000	1	119.9369	0.327	7	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH)	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5]2Ru)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(O){1|C<3>,2|H<1>}	117.7850	0.000	1	117.7850	0.000	1	117.7850	0.000	1	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	119.0570	0.000	1	118.8413	0.668	3	118.7550	0.656	5	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	118.7335	1.125	2	118.8413	0.668	3	118.7550	0.656	5	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	117.8410	0.000	1	117.8410	0.000	1	118.7550	0.656	5	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[6a]-3:H-1:H-1:	N[6a]-3:N[6a]-3:O-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	C[6a](N[6a]C[6a]C)(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>}	119.4100	0.000	1	119.4100	0.000	1	118.7550	0.656	5	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435
217	490	643	0:SP2_SP2_SP3	N[6a]	C	C[6a]	3:3:4:	4:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:N[6a]-3:H-1:H-1:	C[6a]-3:N[6a]-3:H-1:	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	119.2261	1.033	15	118.1984	3.542	2932	118.4648	3.723	3435