519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a,6]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5,5a,6]-3:N[5a]-3:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C)	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C){1|H<1>,4|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){4|C<4>,4|H<1>}	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	102.3580	0.273	2	102.3580	0.074	2	102.3580	0.074	2	102.3580	0.074	2	102.3861	0.723	8	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a,6]	N[5a]	3:3:	3:4:2:	3:3:2:	C[5,5a,6]-3:N[5a]-3:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a])	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a]){1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]C)(N[5a]N[5a]){1|C<3>,3|C<4>,4|H<1>}	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	102.3955	0.998	6	102.3955	0.997	6	102.3955	0.997	6	102.3955	0.997	6	102.3861	0.723	8	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a,6]	3:3:	3:2:4:	3:2:3:	C[5,5a]-3:N[5a,6]-3:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH)	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6]){1|C<3>,1|O<2>,1|W<6>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5a,6]C[5])(N[5a]N[5a,6])(C[5]C[5]HH){1|C<3>,1|O<2>,4|H<1>}	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W){1|C<3>,1|H<1>,2|C<4>}	101.9510	0.000	1	101.9510	0.000	1	101.9510	0.000	1	101.9510	0.000	1	101.9510	0.000	1	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O){1|C<4>,4|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	101.2710	0.000	1	101.2710	0.000	1	101.2710	0.000	1	100.6797	0.316	8	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]H){1|H<1>,2|N<3>}	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	101.6090	0.000	1	101.6090	0.000	1	100.5952	0.302	7	100.6797	0.316	8	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<3>}	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	100.3426	0.424	3	100.4263	0.123	6	100.5952	0.302	7	100.6797	0.316	8	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|N<3>,2|H<1>}	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	100.3970	0.369	2	100.4263	0.123	6	100.5952	0.302	7	100.6797	0.316	8	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,3|N<2>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a])(N[5]C[5]N){1|H<1>,2|N<2>}	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	100.7360	0.000	1	100.4263	0.123	6	100.5952	0.302	7	100.6797	0.316	8	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|O<1>,1|P<4>,2|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]O)(N[5a]N[5a]){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H){2|C<3>}	103.3710	0.000	1	103.3710	0.000	1	103.3710	0.000	1	102.6405	1.067	2	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5,5a]-3:N[5a]-3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]N[5a]){1|C<4>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	101.9100	0.000	1	101.9100	0.000	1	101.9100	0.000	1	102.6405	1.067	2	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:4:2:	2:2:3:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a])	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a])	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[6a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	C[5,5a](C[5,5a]C[5,6]N[5a])(C[5]C[5,6]HH)(N[5a]N[5a]){1|C<3>,1|H<1>,3|C<4>}	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	102.1252	0.241	4	102.1252	0.058	4	102.1252	0.058	4	102.1252	0.058	4	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HO)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	103.9090	0.000	1	103.9090	0.000	1	103.9090	0.000	1	103.9090	0.000	1	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	102.7730	0.000	1	102.7730	0.000	1	102.7730	0.000	1	102.2175	0.617	2	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a])	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S){1|C<4>,1|N<3>,3|H<1>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]N[5]HH)(N[5a]N[5a]){1|C<4>,1|S<4>,3|H<1>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO){2|C<4>}	101.6620	0.000	1	101.6620	0.000	1	101.6620	0.000	1	102.2175	0.617	2	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5,5a]	N[5a]	3:3:	4:3:2:	2:2:3:	C[5,5a]-3:N[5a]-3:	C[5,6]-4:C[5,5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a])	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a])	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[6a]N[5a]){2|C<3>,4|C<4>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]N[5a]C[5])(N[5a]N[5a]){1|C<3>,2|C<4>,5|H<1>}	N[5a](N[5a]C[5,5a])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	102.1518	0.352	4	102.1518	0.124	4	102.1518	0.124	4	102.1518	0.124	4	101.7224	1.074	21	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	N[5a]	3:3:	3:2:2:	3:2:2:	C[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a])	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]N[5a])(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a,5a](C[5a,5a]N[5a]2)(N[5a]N[5a])(N[5a]O[5a]){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2{1|O<2>,4|N<2>}	99.1518	0.181	2	99.1518	0.033	2	99.1518	0.033	2	99.1518	0.033	2	104.7798	19.245	6	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	N[5a]	3:3:	3:3:2:	4:2:3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	B[5a]-4:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|C<4>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	108.0565	0.009	2	108.0565	0.000	2	107.5938	0.390	4	107.5938	0.390	4	104.7798	19.245	6	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	N[5a]	3:3:	3:3:2:	4:2:3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	B[5a]-4:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,2|F<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.5270	0.000	1	107.1310	0.314	2	107.5938	0.390	4	107.5938	0.390	4	104.7798	19.245	6	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,5a]	N[5a]	3:3:	3:3:2:	4:2:3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	B[5a]-4:N[5a]-2:C[6a]-3:	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	C[5a,5a](N[5a,5a]B[5a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,2|F<1>}	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	106.7350	0.000	1	107.1310	0.314	2	107.5938	0.390	4	107.5938	0.390	4	104.7798	19.245	6	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6,6]	N[5a]	3:3:	3:4:2:	2:2:3:	C[5a,6,6]-3:N[5a]-3:	C[5a,6,6]-3:C[3x6]-4:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a])	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2)	N[5a](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6,6](C[5a,6,6]C[3x6]N[5a])(C[3x6]C[6,6,6a]2H)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6,6])2(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	102.3532	0.332	12	102.3532	0.110	12	102.3532	0.110	12	102.3532	0.110	12	102.3532	0.110	12	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a,6]	3:3:	3:2:2:	3:3:2:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6])	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]){1|N<2>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6]){1|H<1>,1|N<2>,4|C<3>}	104.2195	0.303	2	104.2195	0.092	2	104.2195	0.092	2	104.2195	0.092	2	103.3163	2.493	3	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]N[5a,6])(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>}	101.5100	0.000	1	101.5100	0.000	1	101.5100	0.000	1	101.5100	0.000	1	103.3163	2.493	3	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[5,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	102.6140	0.000	1	102.6140	0.000	1	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6,6]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	101.8820	0.000	1	101.8820	0.000	1	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	102.0048	0.237	4	102.0048	0.056	4	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	102.0275	0.453	2	101.8967	0.106	6	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	101.8617	0.361	3	101.8967	0.106	6	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	101.7400	0.000	1	101.8967	0.106	6	101.9912	0.105	12	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H)	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6])	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H){3|N<2>}	C[5a,6](N[5a,6]C[5a]N[6])(N[5a]N[5a])(N[6]N[6]){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H){2|N<2>}	102.7560	0.412	2	102.7560	0.169	2	102.7560	0.169	2	102.1005	0.179	14	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	2:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	102.4660	0.000	1	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,1|N<3>,2|C<3>}	102.3720	0.000	1	102.3720	0.000	1	102.2190	0.047	2	102.2190	0.047	2	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|N<3>,1|O<1>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	102.0660	0.000	1	102.0660	0.000	1	102.2190	0.047	2	102.2190	0.047	2	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.8210	0.000	1	102.8210	0.000	1	102.8210	0.000	1	102.3665	0.413	2	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:N[6]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O){1|C<4>,1|N<3>}	101.9120	0.000	1	101.9120	0.000	1	101.9120	0.000	1	102.3665	0.413	2	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	103.6890	0.000	1	103.6890	0.000	1	103.6890	0.000	1	103.6890	0.000	1	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	N[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](N[5a]C[5a,6])2(H){2|C<3>}	102.4915	0.066	2	102.4915	0.004	2	102.4310	0.007	4	102.4310	0.007	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a,6])2(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H){1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5a](N[5a]C[5a,6])2(H){2|C<3>}	102.3705	0.040	2	102.3705	0.002	2	102.4310	0.007	4	102.4310	0.007	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	103.3290	0.000	1	103.3290	0.000	1	103.3290	0.000	1	102.3553	1.317	3	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a])	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.6470	0.000	1	102.6470	0.000	1	102.6470	0.000	1	102.3553	1.317	3	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	N[5a](N[5a]C[5a,6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	101.0900	0.000	1	101.0900	0.000	1	101.0900	0.000	1	102.3553	1.317	3	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	104.4760	0.000	1	104.4760	0.000	1	104.4760	0.000	1	102.9249	0.609	7	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[6]C[6,6]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	102.7080	0.134	2	102.7080	0.018	2	102.5190	0.049	5	102.9249	0.609	7	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6]C[6,6]H)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	102.3930	0.172	3	102.3930	0.030	3	102.5190	0.049	5	102.9249	0.609	7	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	103.4030	0.000	1	103.4030	0.000	1	103.4030	0.000	1	102.9249	0.609	7	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:N[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[6,6a]N[5a,6])(N[5a]C[5a]C[6a]){1|Pd<7>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|Pd<7>,1|H<1>,5|C<3>}	N[5a](C[5a]N[5a,6]Pd)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.3890	0.000	1	102.3890	0.000	1	102.3890	0.000	1	102.3890	0.000	1	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	105.3803	0.233	4	105.3803	0.054	4	105.4448	0.062	5	104.4117	0.648	15	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	105.7030	0.000	1	105.7030	0.000	1	105.4448	0.062	5	104.4117	0.648	15	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	103.8951	0.303	10	103.8951	0.092	10	103.8951	0.092	10	104.4117	0.648	15	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[5a]-3:C[3x6]-4:N[5a]-2:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a])	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6])	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[3x6]C[5a]){1|Rh<4>,1|H<1>,2|C<3>,3|C<4>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a]){1|Rh<4>,1|C<4>,3|C<3>}	N[5a](C[5a]N[5a,6]Rh)(C[3x6]C[6,6]3)(N[5a]C[5a,6]){2|C<3>,3|C<4>,6|H<1>}	102.8570	0.000	1	102.8570	0.000	1	102.8570	0.000	1	102.8570	0.000	1	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]){2|C<4>,5|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	104.3424	1.330	14	104.3424	1.769	14	104.2553	1.600	16	104.2069	1.348	19	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	103.6460	0.397	2	103.6460	0.158	2	104.2553	1.600	16	104.2069	1.348	19	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	104.0650	0.000	1	104.0650	0.000	1	103.9490	0.016	3	104.2069	1.348	19	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	103.8910	0.113	2	103.8910	0.013	2	103.9490	0.016	3	104.2069	1.348	19	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,5|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O){2|C<4>}	103.9140	0.000	1	103.9140	0.000	1	103.9140	0.000	1	104.1167	0.083	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	104.2920	0.000	1	104.2920	0.000	1	104.3595	0.009	2	104.1167	0.083	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]O[6]HO)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	104.4270	0.000	1	104.4270	0.000	1	104.3595	0.009	2	104.1167	0.083	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:3:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]O[6]HH)(N[5a]N[5a]){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC){1|C<3>,1|C<4>}	103.8340	0.000	1	103.8340	0.000	1	103.8340	0.000	1	104.1167	0.083	4	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,1|N<3>,1|N<4>,4|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	104.6760	0.000	1	104.6760	0.000	1	103.8945	0.389	4	103.8934	0.291	5	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,2|O<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	103.6870	0.578	2	103.6340	0.176	3	103.8945	0.389	4	103.8934	0.291	5	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|C<4>,2|N<3>,4|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	103.5280	0.000	1	103.6340	0.176	3	103.8945	0.389	4	103.8934	0.291	5	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:2:4:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a])	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[6]S[6]HH)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	103.8890	0.000	1	103.8890	0.000	1	103.8890	0.000	1	103.8934	0.291	5	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6]	N[5a]	3:3:	3:4:2:	3:3:2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	103.8930	0.000	1	103.8930	0.000	1	103.8930	0.000	1	103.8930	0.000	1	103.4147	1.450	80	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5,5a]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:N[5a]-2:C[5]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5])	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H)	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]N[5,5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	101.2615	0.627	2	101.2615	0.393	2	101.2615	0.393	2	101.2615	0.393	2	101.2615	0.393	2	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	102.6270	0.000	1	102.6270	0.000	1	102.5520	0.069	4	102.5520	0.069	4	102.5520	0.069	4	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	102.2380	0.000	1	102.2380	0.000	1	102.5520	0.069	4	102.5520	0.069	4	102.5520	0.069	4	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	102.8660	0.000	1	102.8660	0.000	1	102.5520	0.069	4	102.5520	0.069	4	102.5520	0.069	4	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,5a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:N[5a,5a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a])	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]N[5a,5a]N[5a]){2|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,5a]N[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[5a,5a](N[5a,5a]C[5a,6a]2)(N[5a]C[5a,6a])2{1|N<2>,3|C<3>}	102.4770	0.000	1	102.4770	0.000	1	102.5520	0.069	4	102.5520	0.069	4	102.5520	0.069	4	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]N){4|C<3>}	102.6250	0.000	1	102.6250	0.000	1	102.6250	0.000	1	102.0370	0.691	2	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(N[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	101.4490	0.000	1	101.4490	0.000	1	101.4490	0.000	1	102.0370	0.691	2	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:2:4:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	103.0725	0.098	2	103.0725	0.010	2	103.0725	0.010	2	103.0725	0.010	2	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	102.6060	0.000	1	102.4560	0.045	2	102.8521	0.131	7	102.8521	0.131	7	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	102.3060	0.000	1	102.4560	0.045	2	102.8521	0.131	7	102.8521	0.131	7	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	102.6180	0.000	1	103.0106	0.075	5	102.8521	0.131	7	102.8521	0.131	7	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	103.1810	0.152	3	103.0106	0.075	5	102.8521	0.131	7	102.8521	0.131	7	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	102.8920	0.000	1	103.0106	0.075	5	102.8521	0.131	7	102.8521	0.131	7	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	104.5400	0.000	1	104.2677	0.134	3	104.1527	0.142	4	104.1527	0.142	4	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	104.1315	0.397	2	104.2677	0.134	3	104.1527	0.142	4	104.1527	0.142	4	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|O<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6]C[6a])(N[5a]N[5a,6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	103.8080	0.000	1	103.8080	0.000	1	104.1527	0.142	4	104.1527	0.142	4	103.1197	0.645	15	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	102.8450	0.000	1	102.8450	0.000	1	102.8450	0.000	1	102.8450	0.000	1	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	103.3560	0.000	1	103.3560	0.000	1	103.2060	0.039	7	103.2060	0.039	7	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	102.9050	0.000	1	102.9050	0.000	1	103.2060	0.039	7	103.2060	0.039	7	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	103.1837	0.047	3	103.1837	0.002	3	103.2060	0.039	7	103.2060	0.039	7	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.5260	0.000	1	103.5260	0.000	1	103.2060	0.039	7	103.2060	0.039	7	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|I<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]I){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	103.1040	0.000	1	103.1040	0.000	1	103.2060	0.039	7	103.2060	0.039	7	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	103.2490	0.000	1	103.2490	0.000	1	103.2490	0.000	1	103.3680	0.028	2	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	103.4870	0.000	1	103.4870	0.000	1	103.4870	0.000	1	103.3680	0.028	2	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a,6a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]2)(N[5a]N[5a,6a]){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	103.3390	0.000	1	103.2147	0.046	11	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	102.4710	0.000	1	102.4710	0.000	1	102.4710	0.000	1	102.4710	0.000	1	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O[6a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(O[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	101.4105	0.197	2	101.4105	0.039	2	101.4105	0.039	2	102.1677	0.778	4	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a])	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(N[5a]N[5a])(N[6a]N[6a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H){2|N<2>}	102.9250	0.041	2	102.9250	0.002	2	102.9250	0.002	2	102.1677	0.778	4	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a]){1|Cl<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	103.3950	0.000	1	103.3950	0.000	1	103.3950	0.000	1	103.3950	0.000	1	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	103.0450	0.763	3	103.0450	0.582	3	102.9176	0.292	9	102.9176	0.292	9	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	103.1820	0.192	2	103.1495	0.017	4	102.9176	0.292	9	102.9176	0.292	9	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	103.1170	0.096	2	103.1495	0.017	4	102.9176	0.292	9	102.9176	0.292	9	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	102.2625	0.029	2	102.2625	0.001	2	102.9176	0.292	9	102.9176	0.292	9	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	103.0010	0.000	1	102.8925	0.024	2	102.8925	0.024	2	102.8925	0.024	2	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	102.7840	0.000	1	102.8925	0.024	2	102.8925	0.024	2	102.8925	0.024	2	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:2:2:	4:3:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a])	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<2>,2|S<2>}	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	102.4543	0.455	3	102.4543	0.207	3	102.4543	0.207	3	102.4543	0.207	3	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	102.2857	0.322	6	102.2857	0.104	6	102.2857	0.104	6	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CCC){2|C<3>}	102.4200	0.017	2	102.4200	0.000	2	102.8231	0.670	16	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CCH){2|C<3>}	102.4385	0.206	2	102.4385	0.042	2	102.8231	0.670	16	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[5]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[5]C){2|C<3>}	103.1965	0.648	2	103.1965	0.420	2	102.8231	0.670	16	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	102.9060	0.979	10	102.9060	0.958	10	102.8231	0.670	16	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	103.0498	0.304	5	103.0498	0.092	5	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.9170	0.000	1	102.8423	0.734	60	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	102.8740	0.893	54	102.8423	0.734	60	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|C<4>,4|C<3>}	102.3855	0.231	4	102.8423	0.734	60	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.8850	0.000	1	102.8423	0.734	60	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N[6])(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	102.9880	0.000	1	102.9880	0.000	1	102.8602	0.675	66	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a,6a])2(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	101.5770	0.000	1	101.5770	0.000	1	101.5770	0.000	1	102.8004	0.657	89	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]N[5a]){1|C<4>,1|N<3>,1|S<2>,3|C<3>}	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	102.7240	0.208	3	102.7240	0.043	3	102.7479	0.019	7	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5,5a])(C[5a,6a]C[5a,6a]N[5a])(N[5a]N[5a]){1|Se<2>,1|C<4>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	102.7657	0.092	4	102.7657	0.009	4	102.7479	0.019	7	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|C<3>,1|O<1>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	102.3530	0.000	1	102.3530	0.000	1	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	102.6577	0.151	4	102.6577	0.023	4	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CCHH){2|C<3>}	102.8283	0.491	14	102.8283	0.241	14	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[5]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[5]CH){2|C<3>}	102.1445	1.059	2	102.1445	1.121	2	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[5a]HH){2|C<3>}	102.4665	0.099	4	102.4665	0.010	4	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]CH){2|C<3>}	102.1485	0.026	2	102.1485	0.001	2	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	102.6070	0.000	1	102.6070	0.000	1	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a]C[5a,6a])2(CH3){2|C<3>}	101.8760	0.000	1	101.8760	0.000	1	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a]C[5a,6a])2(CH3){1|C<3>,1|N<2>}	102.0570	0.000	1	102.0570	0.000	1	102.5857	0.237	30	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C[6]-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[6]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(C[6]C[6]2N){2|C<3>,2|C<4>,4|H<1>}	102.3950	0.098	2	102.3950	0.010	2	102.3950	0.010	2	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a])2(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]C){3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a,6a])2(CC[6a]HH){2|C<3>}	102.6800	0.000	1	102.6800	0.000	1	102.6800	0.000	1	102.6069	0.185	40	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	104.3700	0.000	1	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	103.2020	0.000	1	103.2020	0.000	1	103.2020	0.000	1	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	103.3450	0.000	1	103.3450	0.000	1	103.3450	0.000	1	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.4975	0.366	2	103.6551	0.109	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.7240	0.000	1	103.6551	0.109	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.7168	0.387	4	103.6551	0.109	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	103.8550	0.000	1	103.8550	0.000	1	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	103.2375	0.209	4	103.0417	0.271	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	102.4780	0.767	2	103.0417	0.271	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.3860	0.000	1	103.0417	0.271	7	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.4000	0.000	1	103.7777	0.329	4	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5150	0.000	1	103.7777	0.329	4	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.5980	0.485	2	103.7777	0.329	4	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.0150	0.000	1	104.0150	0.000	1	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Se<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	104.5030	0.000	1	104.5030	0.000	1	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|N<2>,4|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	102.8235	0.279	2	102.8235	0.078	2	103.4787	0.345	23	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	103.0410	0.000	1	102.8895	0.046	2	103.0973	0.153	3	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	102.7380	0.000	1	102.8895	0.046	2	103.0973	0.153	3	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	103.5130	0.000	1	103.5130	0.000	1	103.0973	0.153	3	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	103.4400	0.000	1	103.4400	0.000	1	103.4400	0.000	1	103.4237	0.298	29	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	103.7330	0.153	2	103.7330	0.023	2	103.7330	0.023	2	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	105.5170	0.000	1	105.5170	0.000	1	105.3450	0.047	3	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]){1|B<4>,2|C<3>,2|F<1>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	105.2590	0.221	2	105.2590	0.049	2	105.3450	0.047	3	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	104.4250	0.000	1	104.4250	0.000	1	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	102.9800	0.000	1	102.9800	0.000	1	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.3960	0.000	1	103.3960	0.000	1	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.4360	0.368	2	103.2854	0.091	14	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.7380	0.000	1	103.2854	0.091	14	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.1520	0.175	10	103.2854	0.091	14	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.8660	0.000	1	103.2854	0.091	14	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	103.4860	0.272	2	103.4903	0.037	3	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	103.4990	0.000	1	103.4903	0.037	3	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	103.3320	0.220	3	103.3320	0.048	3	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|I<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|I<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	104.1440	0.000	1	104.1440	0.000	1	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.0260	0.055	2	103.0260	0.003	2	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.2790	0.288	2	103.2790	0.083	2	103.3578	0.137	28	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,1|O<1>,1|S<4>,2|N<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	102.8380	0.000	1	102.8380	0.000	1	102.8380	0.000	1	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.3660	0.000	1	103.4075	0.003	2	103.4075	0.003	2	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.4490	0.000	1	103.4075	0.003	2	103.4075	0.003	2	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH){2|C<3>}	103.4297	0.213	3	103.4297	0.045	3	103.4297	0.045	3	103.5246	0.401	39	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	103.9710	0.000	1	103.9710	0.000	1	103.9710	0.000	1	103.3314	0.070	14	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.3085	0.214	10	103.3085	0.046	10	103.3085	0.046	10	103.3314	0.070	14	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a,6a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	103.1943	0.119	3	103.1943	0.014	3	103.1943	0.014	3	103.3314	0.070	14	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	103.9190	0.615	2	103.9190	0.378	2	103.9190	0.378	2	103.8290	0.214	3	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a,6a]	N[5a]	3:3:	3:3:2:	3:4:2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6]){1|Br<1>,1|C<4>,1|H<1>,2|N<2>,2|O<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]){1|Br<1>,1|C<3>,1|C<4>}	N[5a](C[5a]C[5a,6a]Br)(C[6]C[6]O[6]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	103.6490	0.000	1	103.6490	0.000	1	103.6490	0.000	1	103.8290	0.214	3	103.0072	0.557	235	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	2:2:1:	3:3:2:	N[5,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|C<4>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(H){1|C<3>,1|S<2>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	100.3370	0.000	1	100.3370	0.000	1	100.3370	0.000	1	100.3370	0.000	1	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	2:2:3:	3:4:2:	N[5,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a]){1|O<2>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5,5a])(N[5a]N[5,5a])(C[6a]C[6a]2){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	102.5850	1.445	2	102.5850	2.089	2	102.5850	2.089	2	102.5850	2.089	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:1:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5,5a]N)(N[5a]N[5,5a])(H)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5,5a]N)(N[5a]N[5,5a])(H){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	103.4270	0.000	1	103.4270	0.000	1	103.4270	0.000	1	103.4270	0.000	1	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:2:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)	C[5a](C[5a]C[5,5a]H)(N[5a]N[5,5a])(OH)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]H)(N[5a]N[5,5a])(OH){1|C<3>,1|C<4>}	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	102.9040	0.000	1	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:3:	3:2:3:	N[5,5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){1|N<2>,3|N<3>}	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH){1|C<3>,1|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	101.5460	0.000	1	101.3145	0.107	2	101.3145	0.107	2	101.3145	0.107	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:3:	3:2:3:	N[5,5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH)	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5a](N[5a]C[5,5a]N)(N[5a]N[5,5a])(NHH){1|C<3>,1|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	101.0830	0.000	1	101.3145	0.107	2	101.3145	0.107	2	101.3145	0.107	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:3:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(COO)	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|O<2>,4|C<3>}	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(COO){1|C<4>,1|O<2>}	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	102.4800	0.000	1	102.4800	0.000	1	102.4800	0.000	1	103.4325	1.815	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:3:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5,5a]C)(N[5a]N[5,5a])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	104.3850	0.000	1	104.3850	0.000	1	104.3850	0.000	1	103.4325	1.815	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:4:	3:3:2:	N[5,5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5,5a]D)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	102.2620	0.000	1	102.2620	0.000	1	102.0635	0.079	2	102.0635	0.079	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:4:	3:3:2:	N[5,5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5,5a]H)(N[5a]N[5,5a])(CH3){1|C<3>,1|N<2>}	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	101.8650	0.000	1	101.8650	0.000	1	102.0635	0.079	2	102.0635	0.079	2	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:2:4:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|S<4>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]S)(N[5a]N[5,5a])(CCHH){2|C<4>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<4>,1|S<4>,4|H<1>}	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	104.7110	0.000	1	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5,5a]	3:3:	3:3:2:	3:4:2:	N[5,5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a])	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5,5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5,5a]){1|H<1>,2|C<4>,4|C<3>}	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.3123	0.178	19	103.3123	0.032	19	103.3123	0.032	19	103.3123	0.032	19	103.0033	0.829	31	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	100.5350	0.000	1	100.5350	0.000	1	100.9727	0.726	4	104.1893	12.147	8	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	102.2240	0.000	1	101.2885	1.750	2	100.9727	0.726	4	104.1893	12.147	8	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	100.3530	0.000	1	101.2885	1.750	2	100.9727	0.726	4	104.1893	12.147	8	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(H){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	100.7790	0.000	1	100.7790	0.000	1	100.9727	0.726	4	104.1893	12.147	8	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:H-1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	107.4058	0.164	4	107.4058	0.027	4	107.4058	0.027	4	104.1893	12.147	8	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	101.5630	0.000	1	101.5630	0.000	1	101.4435	0.029	2	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){2|C<3>}	101.3240	0.000	1	101.3240	0.000	1	101.4435	0.029	2	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|F<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	100.8480	0.000	1	100.8860	0.003	2	101.0217	0.057	3	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	100.9240	0.000	1	100.8860	0.003	2	101.0217	0.057	3	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|O<2>,4|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	101.2930	0.000	1	101.2930	0.000	1	101.0217	0.057	3	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){1|N<2>,2|N<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(NHH){1|C<3>,1|N<3>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	99.9806	0.000	1	99.9806	0.000	1	99.9806	0.000	1	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[5a]C[5a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[5a]C[5a]2){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	108.2930	0.000	1	108.2930	0.000	1	108.2930	0.000	1	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	107.5280	0.000	1	107.5280	0.000	1	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	108.2640	0.000	1	107.9737	0.176	8	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	108.6560	0.000	1	107.9737	0.176	8	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	107.9078	0.249	5	107.9737	0.176	8	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	107.3310	0.000	1	107.9737	0.176	8	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	107.4573	0.365	3	107.4573	0.133	3	107.8075	0.197	12	105.6798	10.941	19	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CC[6a]CH){1|C<3>,1|S<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	100.3360	0.000	1	100.3360	0.000	1	100.3360	0.000	1	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	100.5100	0.000	1	100.7115	0.040	4	100.7115	0.040	4	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<3>}	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	100.7787	0.180	3	100.7115	0.040	4	100.7115	0.040	4	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.2270	0.000	1	108.2270	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCHH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.5120	0.074	2	108.5120	0.005	2	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[5a]HH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.4470	0.468	2	108.4470	0.219	2	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]CH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	107.8370	0.000	1	107.8370	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.0660	0.000	1	108.0660	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CC[6a]HH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.4880	0.000	1	108.4880	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl2H){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	107.1900	0.000	1	107.1900	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CCl3){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	106.7840	0.000	1	106.7840	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CH3){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	107.9590	0.302	3	107.9590	0.091	3	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	108.2980	0.000	1	108.2980	0.000	1	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(CHHO){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	107.0053	0.536	3	107.0053	0.287	3	107.8648	0.444	17	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S)	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(SNOO)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a,5a])(S[5a]C[5a,5a])(SNOO){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	107.1730	0.000	1	107.1730	0.000	1	107.1730	0.000	1	106.2633	9.549	23	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	2:2:4:	3:4:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3)	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,5a])(N[5a]N[5a,5a])(CH3){1|B<4>,1|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	102.6130	0.000	1	102.6130	0.000	1	102.6130	0.000	1	102.6130	0.000	1	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:1:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	C[5a](C[5a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(H){4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	103.1550	0.000	1	103.1550	0.000	1	103.1550	0.000	1	103.1550	0.000	1	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(SC)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(SC){1|C<3>,1|N<3>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	103.2040	0.000	1	103.2040	0.000	1	103.2040	0.000	1	105.7407	4.863	3	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<3>,1|S<2>,3|N<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>}	106.8160	0.000	1	106.8160	0.000	1	107.0090	0.074	2	105.7407	4.863	3	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|O<2>,2|C<3>,2|N<2>}	C[5a](C[5a]C[5a]O[5a])(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	107.2020	0.000	1	107.2020	0.000	1	107.0090	0.074	2	105.7407	4.863	3	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(COO)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(COO){2|C<3>}	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.0657	0.879	6	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]N[5a,5a]C)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	103.3470	0.000	1	103.3470	0.000	1	103.5053	0.026	4	103.0657	0.879	6	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	103.6360	0.082	2	103.5580	0.022	3	103.5053	0.026	4	103.0657	0.879	6	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]N[5a,5a]H)(N[5a]N[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	103.4020	0.000	1	103.5580	0.022	3	103.5053	0.026	4	103.0657	0.879	6	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,5a]N)(N[5a]N[5a,5a])(NHH)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5a](N[5a]C[5a,5a]N)(N[5a]N[5a,5a])(NHH){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){2|N<3>}	101.1860	0.000	1	101.1860	0.000	1	101.1860	0.000	1	103.0657	0.879	6	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|N<2>}	C[5a](C[5a]C[5a,5a]C)(N[5a]N[5a,5a])(CH3){1|C<3>,1|N<2>}	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	103.3960	0.199	2	103.3960	0.040	2	103.3960	0.040	2	103.1190	0.250	3	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:4:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CH3){1|C<3>,1|S<2>}	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	102.5650	0.000	1	102.5650	0.000	1	102.5650	0.000	1	103.1190	0.250	3	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	3:2:4:	3:4:2:	N[5a,5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,5a]H)(N[5a]N[5a,5a])(CF3){1|B<4>,1|C<3>}	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	103.4060	0.000	2	103.4060	0.000	2	103.4060	0.000	2	103.4060	0.000	2	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,5a]	3:3:	4:2:2:	3:3:2:	N[5a,5a]-3:C[5a]-3:	C[3x6]-4:N[5a]-2:S[5a]-2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a])	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a,5a])(S[5a]C[5a,5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a]){1|C<3>,2|N<2>,3|C<4>}	C[5a](C[3x6]C[6,6]3)(N[5a]N[5a,5a])(S[5a]C[5a,5a]){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	108.1020	0.000	1	105.2409	9.273	67	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:2:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<2>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]){1|C<3>,2|H<1>}	95.2055	0.000	1	95.2055	0.000	1	95.2055	0.000	1	95.2055	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:2:3:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,2|N<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	101.2530	0.000	1	101.2530	0.000	1	101.2530	0.000	1	101.2530	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<3>,1|N<2>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	101.3770	0.000	1	101.3770	0.000	1	101.3770	0.000	1	101.3770	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	101.1860	0.000	1	101.1860	0.000	1	101.2557	0.014	3	101.2557	0.014	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	101.3900	0.000	1	101.2905	0.020	2	101.2557	0.014	3	101.2557	0.014	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	101.1910	0.000	1	101.2905	0.020	2	101.2557	0.014	3	101.2557	0.014	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	4:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<2>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	100.0490	0.000	1	100.7905	1.100	2	100.7905	1.100	2	100.7905	1.100	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:1:	4:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H)	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(H){1|C<4>,1|N<3>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){2|H<1>,4|C<3>}	101.5320	0.000	1	100.7905	1.100	2	100.7905	1.100	2	100.7905	1.100	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:2:	3:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<3>,1|N<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	101.2420	0.000	1	101.2420	0.000	1	101.2420	0.000	1	101.2420	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:2:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	101.3870	0.000	1	101.3870	0.000	1	101.4942	0.062	4	101.4942	0.062	4	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:2:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	101.8360	0.000	1	101.5300	0.085	3	101.4942	0.062	4	101.4942	0.062	4	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:2:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(SC){1|C<4>,1|N<3>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	101.3770	0.173	2	101.5300	0.085	3	101.4942	0.062	4	101.4942	0.062	4	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	101.2620	0.120	2	101.2620	0.014	2	101.2620	0.014	2	101.2620	0.014	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]N[6]CC)(N[5a]C[5a]){1|H<1>,2|C<3>}	101.3405	0.197	2	101.3405	0.039	2	101.3405	0.039	2	101.3405	0.039	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:3:	4:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	101.1980	0.000	1	101.7510	0.237	4	101.7510	0.237	4	101.7510	0.237	4	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:3:	4:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	101.9353	0.390	3	101.7510	0.237	4	101.7510	0.237	4	101.7510	0.237	4	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	2:2:4:	4:3:2:	N[5a,6]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3)	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C){1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a,6])(N[5a]N[5a,6])(CH3){1|C<4>,1|N<3>}	N[5a,6](C[6,6]C[6,6]O[6]C)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	101.8120	0.000	1	101.8120	0.000	1	101.8120	0.000	1	101.8120	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6,6]C[6])(N[5a]N[5a,6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|P<4>}	N[5a,6](C[5a,6,6]C[5a,6]N[6,6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.1410	0.048	2	104.1410	0.002	2	104.1410	0.002	2	104.1544	0.313	7	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I)	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]N[5a,6])(I)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I){1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]N[5a,6])(I){1|C<4>,1|H<1>,2|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	104.4140	0.000	1	104.4140	0.000	1	104.4140	0.000	1	104.1544	0.313	7	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|O<2>,5|H<1>}	103.6830	0.000	1	103.6830	0.000	1	104.0962	0.598	4	104.1544	0.313	7	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	103.2220	0.000	1	103.2220	0.000	1	104.0962	0.598	4	104.1544	0.313	7	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(H)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(H){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	104.7400	0.175	2	104.7400	0.031	2	104.0962	0.598	4	104.1544	0.313	7	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:1:	4:3:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(H){1|C<3>,1|C<4>}	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	103.6090	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(NC[6a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(NC[6a]H){2|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	103.7925	0.056	2	103.7925	0.003	2	103.7817	0.002	3	103.7817	0.002	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:2:3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(NHH)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|N<2>,3|N<3>}	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(NHH){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	103.7600	0.000	1	103.7600	0.000	1	103.7817	0.002	3	103.7817	0.002	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])(COO)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6]C[6a])(N[5a]N[5a,6])(COO){1|C<4>,3|C<3>}	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	103.5270	0.000	1	103.5270	0.000	1	103.5270	0.000	1	103.5410	0.000	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:3:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	103.5550	0.000	1	103.5550	0.000	1	103.5550	0.000	1	103.5410	0.000	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO){2|C<4>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]CH)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	103.6610	0.000	1	103.6610	0.000	1	103.7678	0.064	4	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO){1|C<4>,1|O<2>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	104.0890	0.000	1	104.0890	0.000	1	103.7678	0.064	4	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO)	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){2|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO){1|C<4>,1|O<2>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	103.6605	0.231	2	103.6605	0.053	2	103.7678	0.064	4	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6]HH)(N[5a]C[5a]){1|H<1>,4|C<3>}	104.8240	0.000	1	104.8240	0.000	1	104.5116	0.073	5	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,6|C<3>}	104.6140	0.000	1	104.6140	0.000	1	104.5116	0.073	5	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.6080	0.000	1	104.6080	0.000	1	104.5116	0.073	5	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	104.4060	0.000	1	104.2560	0.045	2	104.5116	0.073	5	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|C<3>,4|H<1>}	104.1060	0.000	1	104.2560	0.045	2	104.5116	0.073	5	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(NOO)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a,6]N)(N[5a]N[5a,6])(NOO){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<3>,2|H<1>,3|N<3>}	103.5235	0.227	2	103.5235	0.052	2	103.5235	0.052	2	104.0615	0.247	11	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	4:3:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO)	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C){1|C<3>,4|C<4>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(COO){2|C<4>}	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	104.0870	0.028	2	104.0870	0.001	2	104.0870	0.001	2	104.0723	0.001	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:3:	4:3:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2)	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(C[6a]C[6a]2){2|C<3>,2|C<4>,2|H<1>}	N[5a,6](C[6,6]N[6,6]C[6]H)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	104.0430	0.000	1	104.0430	0.000	1	104.0430	0.000	1	104.0723	0.001	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:4:	3:2:3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CC3){1|C<3>,1|N<3>}	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.3840	0.000	1	104.3840	0.000	1	104.4093	0.012	3	104.4093	0.012	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:4:	3:2:3:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH)	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(CCHH){1|C<3>,1|O<2>}	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	104.4220	0.153	2	104.4220	0.023	2	104.4093	0.012	3	104.4093	0.012	3	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:4:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3)	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CF3){1|C<3>,1|C<4>}	N[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.8180	0.000	1	103.8180	0.000	1	103.8180	0.000	1	103.6390	0.064	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:2:4:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:S[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3)	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|O<2>,2|O<1>}	C[5a](C[5a]C[5a,6]C)(N[5a]N[5a,6])(CH3){1|O<2>,1|S<4>}	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a]){1|C<3>,2|C<4>}	103.4600	0.000	1	103.4600	0.000	1	103.4600	0.000	1	103.6390	0.064	2	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6]	3:3:	3:3:2:	3:4:2:	N[5a,6]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a,6])	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[5a]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a,6]){1|C<4>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	105.4350	0.000	1	102.8795	3.020	55	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:Br-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br){3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Br){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	100.2273	0.435	4	100.2273	0.189	4	100.2273	0.189	4	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(Cl){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	100.3985	0.210	4	100.3985	0.044	4	100.3985	0.044	4	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	101.0340	0.000	1	101.0340	0.000	1	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	101.2885	0.354	2	101.2885	0.126	2	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	100.6993	0.344	3	100.6993	0.118	3	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	100.9020	0.000	1	100.8788	0.099	19	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	100.9415	0.248	16	100.8788	0.099	19	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	100.7290	0.000	1	100.8788	0.099	19	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	100.0020	0.000	1	100.8788	0.099	19	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	100.7653	0.487	3	100.7653	0.237	3	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	100.8620	0.069	2	100.8620	0.005	2	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	102.4820	0.000	1	101.7925	0.951	2	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	101.1030	0.000	1	101.7925	0.951	2	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|S<2>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	101.6020	0.000	1	101.6020	0.000	1	100.9580	0.189	33	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	100.9075	0.271	2	100.9075	0.073	2	100.9075	0.073	2	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(I){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	99.8803	0.000	1	99.8803	0.000	1	99.8803	0.000	1	100.8139	0.243	44	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>}	99.9348	0.000	1	99.9348	0.000	1	99.9348	0.000	1	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:O-2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC)	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	100.9290	0.000	1	100.9290	0.000	1	100.9290	0.000	1	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	99.5558	0.043	2	99.5558	0.002	2	99.5558	0.002	2	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:O-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(OC[6a]){1|C<3>,1|N<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	100.3200	0.000	1	100.3200	0.000	1	100.3200	0.000	1	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	101.1760	0.000	1	101.1760	0.000	1	100.8047	0.094	6	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	100.7015	0.445	2	100.7980	0.127	3	100.8047	0.094	6	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	100.9910	0.000	1	100.7980	0.127	3	100.8047	0.094	6	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|S<2>,2|C<3>}	100.6290	0.126	2	100.6290	0.016	2	100.8047	0.094	6	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SC){1|C<3>,1|N<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	101.1320	0.000	1	101.1320	0.000	1	101.1320	0.000	1	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(SC)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	108.7750	0.000	1	108.7750	0.000	1	108.7750	0.000	1	101.1562	5.552	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCH){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	100.6800	0.000	1	100.6800	0.000	1	101.0002	0.065	4	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	101.1070	0.170	3	101.1070	0.029	3	101.0002	0.065	4	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	101.6570	0.000	1	101.6570	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	101.8490	0.000	1	101.8490	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|Cl<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	101.3660	0.000	1	101.9655	0.228	4	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	102.2470	0.407	2	101.9655	0.228	4	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	102.0020	0.000	1	101.9655	0.228	4	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	101.5480	0.000	1	101.5480	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	101.9145	0.213	2	101.9145	0.045	2	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	102.1240	0.000	1	102.1240	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	101.1280	0.000	1	101.1280	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	101.5230	0.000	1	101.6407	0.018	3	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	101.6995	0.124	2	101.6407	0.018	3	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|S<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	102.4270	0.000	1	102.4270	0.000	1	101.8231	0.143	15	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	101.1170	0.151	2	101.1170	0.023	2	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	100.7630	0.000	1	100.7630	0.000	1	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	101.0670	0.052	2	101.0670	0.003	2	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHH){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	101.8980	0.025	2	101.8980	0.001	2	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|O<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NHS){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	100.1865	0.148	2	100.1865	0.022	2	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>}	99.3716	0.000	1	99.3716	0.000	1	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|O<1>,2|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	99.0988	0.000	1	99.0988	0.000	1	100.7064	0.840	11	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.8890	0.000	1	109.9055	0.001	2	109.9055	0.001	2	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	109.9220	0.000	1	109.9055	0.001	2	109.9055	0.001	2	101.8415	5.086	32	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	101.5560	0.000	1	101.5560	0.000	1	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CCHH){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	101.3930	0.000	1	101.3930	0.000	1	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CF3){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	100.8715	0.036	2	100.8715	0.001	2	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	101.3480	0.000	1	101.3480	0.000	1	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|S<2>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	102.7620	0.000	1	102.7620	0.000	1	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CHHO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	101.8130	0.000	1	101.8130	0.000	1	101.5164	0.420	7	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	101.6675	0.448	2	101.6675	0.200	2	101.6675	0.200	2	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SNOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	100.5190	0.000	1	100.5190	0.000	1	100.5190	0.000	1	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<2>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	100.2710	0.000	1	100.4835	0.090	2	100.4835	0.090	2	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:S-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(SCOO){1|C<3>,1|N<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	100.6960	0.000	1	100.4835	0.090	2	100.4835	0.090	2	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	2:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(CCHH)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]N[5a,6a])(S[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	101.9031	5.390	13	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(H){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	103.7830	0.000	1	103.7830	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	103.5560	0.000	1	103.5560	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.7940	0.000	1	103.7940	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	103.7140	0.000	1	103.7140	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	103.6150	0.000	1	103.6150	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	103.2380	0.000	1	103.2380	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	103.5387	0.286	3	103.4888	0.082	5	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	103.4140	0.383	2	103.4888	0.082	5	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	102.8930	0.000	1	102.8930	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	102.5720	0.000	1	102.5720	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	103.0670	0.000	1	103.3135	0.122	2	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	103.5600	0.000	1	103.3135	0.122	2	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.4055	0.063	2	103.4055	0.004	2	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	103.5440	0.123	2	103.5440	0.015	2	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	102.8330	0.000	1	102.8330	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	102.4730	0.000	1	102.4730	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:1:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(H){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	103.1970	0.000	1	103.1970	0.000	1	103.3472	0.151	22	103.3472	0.151	22	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|C<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CN){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	101.3570	0.000	1	101.3570	0.000	1	101.3570	0.000	1	102.4699	1.814	7	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[5a,6a])(N[5a]N[5a,6a]){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	100.9500	0.048	2	100.9500	0.002	2	100.9500	0.002	2	102.4699	1.814	7	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	103.8980	0.000	1	103.8980	0.000	1	103.5080	0.238	4	102.4699	1.814	7	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(SC){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	103.6700	0.016	2	103.6700	0.000	2	103.5080	0.238	4	102.4699	1.814	7	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(SC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(SC){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	102.7940	0.000	1	102.7940	0.000	1	103.5080	0.238	4	102.4699	1.814	7	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:2:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a])	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|F<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a])(N[6a]C[6a]){1|F<1>,2|C<3>,2|H<1>}	104.6530	0.000	1	104.6530	0.000	1	104.6530	0.000	1	103.4713	1.096	3	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:2:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(NOO)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,3|N<3>}	102.8805	0.313	2	102.8805	0.098	2	102.8805	0.098	2	103.4713	1.096	3	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(COO)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(COO){2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	103.4082	0.231	4	103.4082	0.053	4	103.4082	0.053	4	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	103.5475	0.202	4	103.5475	0.041	4	103.5475	0.041	4	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	104.0875	0.117	4	104.0875	0.014	4	103.8916	0.069	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	103.6303	0.093	3	103.6303	0.009	3	103.8916	0.069	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	104.7380	0.000	1	104.5663	0.045	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.3300	0.000	1	104.5663	0.045	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.6310	0.000	1	104.5663	0.045	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	104.6900	0.000	1	104.6900	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.4960	0.000	1	104.4960	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	103.7210	0.000	1	103.7210	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|F<1>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]F)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	104.8280	0.000	1	104.8280	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	103.8090	0.000	1	103.9580	0.144	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	104.0325	0.504	2	103.9580	0.144	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	103.5630	0.000	1	103.5630	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.1320	0.221	2	104.1320	0.049	2	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	103.9240	0.173	3	103.9240	0.030	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	103.7020	0.000	1	103.7020	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	103.5690	0.000	1	103.7770	0.033	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	103.8810	0.038	2	103.7770	0.033	3	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	103.4170	0.000	1	103.4170	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	103.6600	0.028	2	103.6600	0.001	2	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	103.3640	0.372	2	103.3640	0.138	2	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	104.0060	0.020	2	104.0060	0.000	2	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	102.8370	0.000	1	102.8370	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){1|O<2>,2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	103.9250	0.000	1	103.9250	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	103.9160	0.000	1	103.9160	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	103.7000	0.000	1	103.7000	0.000	1	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	105.1770	0.000	2	105.1770	0.000	2	104.0045	0.288	33	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|O<1>,4|C<3>}	C[5a](C[5a]N[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|O<1>,3|C<3>}	107.1900	0.000	1	107.1900	0.000	1	107.1900	0.000	1	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCC)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCC){1|C<3>,1|N<2>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	103.9780	0.000	1	103.9780	0.000	1	103.5220	0.416	2	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCH){1|C<3>,1|N<2>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	103.0660	0.000	1	103.0660	0.000	1	103.5220	0.416	2	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	103.3780	0.089	2	103.3780	0.008	2	103.6194	0.417	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NHH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NHH){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	104.3040	0.440	2	104.3040	0.193	2	103.6194	0.417	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	104.0500	0.000	1	104.0500	0.000	1	103.6194	0.417	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NHS)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NHS){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	103.2720	0.000	1	103.2720	0.000	1	103.6194	0.417	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(NOO)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(NOO){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	102.6500	0.000	1	102.6500	0.000	1	103.6194	0.417	7	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,4|C<3>}	C[5a](N[5a]C[5a,6a]H)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	103.4500	0.000	1	103.4500	0.000	1	103.4500	0.000	1	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:3:	3:3:2:	N[5a,6a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	103.0270	0.000	1	103.0270	0.000	1	103.0270	0.000	1	103.8877	0.463	60	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	103.6840	0.000	1	103.6840	0.000	1	103.6840	0.000	1	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	104.1055	0.189	2	104.1055	0.036	2	104.2913	0.121	3	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	104.6630	0.000	1	104.6630	0.000	1	104.2913	0.121	3	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	104.2250	0.061	2	104.2250	0.004	2	103.9646	0.096	5	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	104.1030	0.000	1	104.1030	0.000	1	103.9646	0.096	5	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	103.6350	0.088	2	103.6350	0.008	2	103.9646	0.096	5	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a](C[5a]C[5a,6a]Br)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	104.4395	0.323	2	104.4395	0.104	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	103.8110	0.000	1	103.8110	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	104.0400	0.000	1	104.0400	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CFFH){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	103.7780	0.000	1	103.7780	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	104.7130	0.000	1	104.7130	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6])(N[5a]N[5a,6a])(CCCH){1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.6230	0.000	1	104.6230	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CCCH){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.5665	0.158	2	104.5665	0.025	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CF3){1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	102.9660	0.000	1	102.9660	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(CH3){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	104.0130	0.000	1	104.0130	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.3060	0.000	1	104.3060	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CC3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.6050	0.000	1	103.6050	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	102.9960	0.184	2	102.9960	0.034	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	102.3150	0.000	1	102.6353	0.078	3	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CF3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	102.7955	0.037	2	102.6353	0.078	3	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.5700	0.000	1	103.9614	0.157	5	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	103.7610	0.260	3	103.9614	0.157	5	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	103.9540	0.000	1	103.9614	0.157	5	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.5279	0.269	7	103.5034	0.126	9	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	103.4180	0.745	2	103.5034	0.126	9	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	103.9380	0.000	1	103.9380	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.2997	0.126	3	103.2997	0.016	3	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	103.8455	0.087	2	103.8455	0.008	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	103.5060	0.000	1	103.5060	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){1|C<3>,1|O<2>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	103.6230	0.209	2	103.6230	0.044	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]H)(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	104.4760	0.000	1	104.4760	0.000	1	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a,6a]I)(N[5a]N[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	104.6610	0.085	2	104.6610	0.007	2	103.7541	0.365	44	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]N[5a,6a])(CH3){2|C<3>}	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	104.8570	0.000	1	104.8570	0.000	1	104.8570	0.000	1	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:2:4:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(PO3){2|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	103.7850	0.000	1	103.7850	0.000	1	103.7850	0.000	1	103.8219	0.340	55	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a,6a]	3:3:	3:3:2:	3:3:2:	N[5a,6a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]N[5a,6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){2|C<3>,2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a,6a]N)(N[5a]N[5a,6a]){1|N<2>,2|C<3>,2|N<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	104.0520	0.187	2	104.0520	0.035	2	104.0520	0.035	2	104.0520	0.035	2	102.7387	2.997	251	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	2:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(H){1|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>}	100.7226	0.384	5	100.7226	0.147	5	100.7226	0.147	5	101.1678	1.307	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	2:2:3:	N[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:O-1:	N[5a]-2:N[5a]-2:C[5]-3:	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O)	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2)	N[5a](N[5a]N[5a]C[5])(C[5a]O[5a]O){2|N<2>}	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	N[5a](N[5a]C[5a])(N[5a]O[5a])(C[5]N[5]2){1|O<1>,2|N<2>}	103.3940	0.000	1	103.3940	0.000	1	103.3940	0.000	1	101.1678	1.307	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(H){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>}	101.3090	0.093	4	101.3090	0.009	4	101.4342	0.112	6	101.3494	0.143	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(H){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>}	101.6845	0.586	2	101.6845	0.344	2	101.4342	0.112	6	101.3494	0.143	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(N)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(N){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<1>}	100.8410	0.000	1	100.8410	0.000	1	100.8410	0.000	1	101.3494	0.143	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H){1|Cl<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(Cl){1|Cl<1>,1|H<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H){1|Cl<1>}	104.3450	0.000	1	104.3450	0.000	1	104.3450	0.000	1	103.0917	4.176	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	102.0240	0.000	1	102.0240	0.000	1	102.9350	4.520	8	103.0917	4.176	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	103.9903	3.320	3	103.9903	11.024	3	102.9350	4.520	8	103.0917	4.176	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	102.4320	1.000	2	102.3713	1.382	4	102.9350	4.520	8	103.0917	4.176	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	102.3105	1.770	2	102.3713	1.382	4	102.9350	4.520	8	103.0917	4.176	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	100.8740	0.000	1	100.8740	0.000	1	100.8740	0.000	1	101.9988	1.340	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)	C[5a](N[5a]N[5a])2(H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]N[5a])2(H){1|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,2|H<1>}	101.3095	0.056	2	101.3095	0.003	2	101.3095	0.003	2	101.9988	1.340	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:O-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)	C[5a](N[5a]N[5a])(O[5a]N[5a])(O)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O){2|C<3>}	C[5a](N[5a]N[5a])(O[5a]N[5a])(O){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	103.2505	0.090	2	103.2505	0.008	2	103.2505	0.008	2	101.9988	1.340	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	101.9616	0.302	17	101.9616	0.091	17	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	101.7805	0.257	2	101.7805	0.066	2	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	102.0090	0.000	1	102.0090	0.000	1	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	101.8840	0.000	1	101.8840	0.000	1	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|H<1>}	101.8360	0.000	1	101.8360	0.000	1	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|H<1>}	101.4050	0.000	1	101.4050	0.000	1	101.9149	0.085	23	101.9149	0.085	23	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	101.9460	0.000	1	101.9460	0.000	1	102.8052	0.200	6	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	102.9070	0.189	3	102.9070	0.036	3	102.8052	0.200	6	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	103.0820	0.078	2	103.0820	0.006	2	102.8052	0.200	6	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	103.0060	0.000	1	103.0060	0.000	1	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	102.1835	0.158	2	102.1835	0.025	2	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|Br<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|Br<1>,1|C<4>}	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	100.8380	0.000	1	100.8380	0.000	1	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	101.8618	0.475	10	101.8618	0.226	10	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	102.1016	0.435	76	102.1016	0.190	76	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	101.6180	0.076	3	101.6180	0.006	3	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	101.5207	0.193	4	101.5207	0.037	4	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	102.3453	1.387	20	102.3453	1.925	20	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	101.7846	0.260	5	101.7846	0.068	5	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	102.3307	0.616	15	102.3307	0.380	15	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	101.6215	0.280	4	101.6215	0.078	4	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	102.2930	0.000	1	102.2930	0.000	1	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	101.0830	0.000	1	101.0830	0.000	1	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	101.6440	0.075	2	101.6440	0.006	2	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	102.0155	0.049	2	102.0155	0.002	2	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	101.4105	0.824	2	101.4105	0.679	2	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	101.9157	0.255	6	101.9157	0.065	6	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|S<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	101.9970	0.000	1	101.9970	0.000	1	102.0626	0.456	156	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	101.2370	0.000	1	101.2370	0.000	1	101.2485	0.000	2	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>,1|S<4>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	101.2600	0.000	1	101.2600	0.000	1	101.2485	0.000	2	102.0799	0.468	164	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	101.8020	0.000	1	101.8020	0.000	1	101.4475	0.260	10	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	101.3908	0.703	5	101.4081	0.275	9	101.4475	0.260	10	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	101.4297	0.271	4	101.4081	0.275	9	101.4475	0.260	10	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	102.0700	0.181	2	102.0700	0.033	2	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	101.8423	0.540	6	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	102.0900	0.324	2	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	102.0300	0.038	2	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	101.1930	0.000	1	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	101.5384	0.424	14	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	101.8456	0.562	23	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	101.4390	0.076	2	101.7470	0.258	50	101.7594	0.253	52	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	101.1150	0.000	1	101.1150	0.000	1	101.8126	0.242	8	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	101.9942	0.414	6	101.9942	0.171	6	101.8126	0.242	8	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	101.4210	0.000	1	101.4210	0.000	1	101.8126	0.242	8	101.7209	0.258	70	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	101.9445	0.135	2	101.9445	0.018	2	101.9445	0.018	2	101.9445	0.018	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	102.0060	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NN)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NN){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<2>}	101.0877	0.315	7	101.0877	0.099	7	101.0877	0.099	7	100.9622	0.211	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:O-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(OC[6a])	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS)	N[5a](C[5a]N[5a]O)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(OC[6a]){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHS){1|O<2>}	100.0840	0.000	1	100.0840	0.000	1	100.0840	0.000	1	100.9622	0.211	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	106.0070	5.392	2	106.0070	29.078	2	103.5276	12.512	5	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	101.7840	0.000	1	101.7840	0.000	1	103.5276	12.512	5	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC[5a]){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	102.4020	0.000	1	102.4020	0.000	1	103.5276	12.512	5	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	101.4380	0.000	1	101.4380	0.000	1	103.5276	12.512	5	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|O<2>,2|C<3>}	101.1900	0.297	2	101.1900	0.088	2	101.1900	0.088	2	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	101.3670	0.000	1	101.3670	0.000	1	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	101.7253	0.801	3	101.7253	0.641	3	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	101.9010	0.011	2	101.9010	0.000	2	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	101.7310	0.000	1	101.7310	0.000	1	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	102.3110	0.000	1	102.3110	0.000	1	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	102.0830	0.000	1	102.0830	0.000	1	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	101.4125	0.428	2	101.4125	0.183	2	101.7541	0.231	11	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NH){1|H<1>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<2>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|H<1>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|O<2>}	108.2293	0.044	3	108.2293	0.002	3	108.2293	0.002	3	103.3470	9.565	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O){1|S<2>}	101.6570	0.000	1	101.6570	0.000	1	101.6570	0.000	1	105.8370	34.945	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO)	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC){1|C<3>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO){1|S<2>}	110.0170	0.000	1	110.0170	0.000	1	110.0170	0.000	1	105.8370	34.945	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	102.4680	0.079	2	102.4680	0.006	2	102.4680	0.006	2	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	102.1230	0.000	1	102.1230	0.000	1	100.5682	4.835	2	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	99.0133	0.000	1	99.0133	0.000	1	100.5682	4.835	2	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	101.8120	0.000	1	101.8120	0.000	1	101.7608	0.017	5	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	101.8315	0.186	2	101.8315	0.035	2	101.7608	0.017	5	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	101.6480	0.000	1	101.6480	0.000	1	101.7608	0.017	5	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	101.6810	0.000	1	101.6810	0.000	1	101.7608	0.017	5	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:O-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C)	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(OC){1|C<4>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	108.6635	0.090	2	108.6635	0.008	2	108.6635	0.008	2	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC){1|C<4>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH){1|S<2>}	110.3060	0.402	4	110.3060	0.162	4	110.3060	0.162	4	104.8952	17.804	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NC){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	101.9490	0.000	1	101.9490	0.000	1	101.4385	0.521	2	101.4385	0.521	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NN){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){3|N<2>}	100.9280	0.000	1	100.9280	0.000	1	101.4385	0.521	2	101.4385	0.521	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<3>,1|N<3>,3|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	101.1000	0.000	1	101.0490	0.007	3	101.0490	0.007	3	99.8479	0.615	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){2|C<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	101.0235	0.100	2	101.0490	0.007	3	101.0490	0.007	3	99.8479	0.615	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NHN)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NHN){1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	100.3300	0.000	1	100.3300	0.000	1	99.7867	0.585	3	99.8479	0.615	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(NOO){1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	99.5151	0.853	2	99.5151	0.727	2	99.7867	0.585	3	99.8479	0.615	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:O-1:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(O)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO){1|O<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(O){1|N<3>}	99.3593	0.177	7	99.3593	0.031	7	99.3593	0.031	7	99.8479	0.615	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:O-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]O)	C[5a](N[5a]N[5a])2(NOO){1|O<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(OH){1|N<3>}	98.8793	0.000	1	98.8793	0.000	1	98.8793	0.000	1	98.8793	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|N<3>}	99.7123	0.108	3	99.7123	0.012	3	99.7123	0.012	3	99.2994	0.690	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]N)	C[5a](N[5a]N[5a])2(NOO){1|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|N<3>}	98.0606	0.000	1	98.0606	0.000	1	98.0606	0.000	1	99.2994	0.690	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(C[6]C[6]2)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C){2|C<3>}	C[5a](N[5a]N[5a])2(C[6]C[6]2){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	101.3530	0.000	1	101.3530	0.000	1	101.3530	0.000	1	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]C)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]C){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	100.8880	0.000	1	100.8880	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]H)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NC[5a]H){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	100.4975	0.094	2	100.4975	0.009	2	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHH){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	101.5460	0.119	3	101.5460	0.014	3	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHH){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	101.4710	0.000	1	101.4710	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHN)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NHN){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	100.4310	0.000	1	100.4310	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NNO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NNO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	100.6330	0.000	1	100.6330	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|N<3>}	99.3255	0.258	4	99.3255	0.066	4	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCNN){1|N<3>}	99.3371	0.000	1	99.3371	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5]HH){1|N<3>}	99.8053	0.214	8	99.8053	0.046	8	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|N<3>}	99.7364	0.000	2	99.7364	0.000	2	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>}	99.9173	0.000	1	99.9173	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(NOO){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHN){1|N<3>}	100.0370	0.000	1	100.0370	0.000	1	100.1371	0.559	26	100.1821	0.593	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCN){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	102.3200	0.000	1	102.3200	0.000	1	102.1144	0.116	12	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNN){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	102.5480	0.000	1	102.5480	0.000	1	102.1144	0.116	12	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.0567	0.368	8	102.0567	0.135	8	102.1144	0.116	12	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	101.8580	0.000	1	101.8580	0.000	1	102.1144	0.116	12	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.1930	0.000	1	102.1930	0.000	1	102.1144	0.116	12	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Co<6>,1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.7005	0.309	2	101.4606	2.806	4	101.5896	1.749	6	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	100.2207	1.474	2	101.4606	2.806	4	101.5896	1.749	6	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){3|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	101.8475	0.360	2	101.8475	0.130	2	101.5896	1.749	6	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){3|C<3>}	102.0740	0.000	1	102.0740	0.000	1	102.2207	0.184	7	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	101.9195	0.412	2	101.9910	0.100	3	102.2207	0.184	7	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	102.1340	0.000	1	101.9910	0.100	3	102.2207	0.184	7	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){3|C<3>}	102.6685	0.562	2	102.6685	0.316	2	102.2207	0.184	7	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[6]C[6]2){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.1610	0.000	1	102.1610	0.000	1	102.2207	0.184	7	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NCH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	101.7890	0.000	1	101.7890	0.000	1	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NFeN){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	100.8280	0.000	1	100.8280	0.000	1	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	101.9470	0.000	1	101.9470	0.000	1	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	102.2530	0.000	1	102.2530	0.000	1	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	102.4690	1.158	2	102.4690	1.342	2	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	100.8342	0.642	4	100.8200	0.306	10	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,2|N<3>}	101.2630	0.000	1	100.8200	0.306	10	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	100.3173	0.133	3	100.8200	0.306	10	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|N<2>}	101.3240	0.151	2	100.8200	0.306	10	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	101.0105	0.045	2	101.0105	0.002	2	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	100.5725	0.190	2	100.5725	0.036	2	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	101.1470	0.000	1	101.1470	0.000	1	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	100.9987	1.703	7	100.9987	2.901	7	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	100.5810	0.357	3	100.5810	0.128	3	101.0646	1.011	31	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:O-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	100.8680	0.351	5	100.8680	0.123	5	100.8680	0.123	5	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NHH)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NHH){1|H<1>,1|O<1>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<3>}	109.8870	0.243	3	109.8870	0.059	3	109.8870	0.059	3	101.8353	4.159	64	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(COO)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C){2|C<3>}	C[5a](N[5a]N[5a])2(COO){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	101.9260	0.000	1	101.9260	0.000	1	101.9260	0.000	1	101.9260	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO){1|N<3>}	101.8970	0.000	1	101.8970	0.000	1	100.7018	0.656	4	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|N<3>}	100.3033	0.180	3	100.3033	0.032	3	100.7018	0.656	4	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	99.3613	0.115	2	99.3613	0.013	2	100.5544	0.487	9	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH){1|N<3>}	100.8953	0.192	7	100.8953	0.037	7	100.5544	0.487	9	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	99.9492	0.114	2	99.9492	0.013	2	100.0014	0.199	8	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:3:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	100.0188	0.524	6	100.0188	0.275	6	100.0014	0.199	8	100.3718	0.455	21	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	102.9200	0.112	2	102.9200	0.012	2	102.9200	0.012	2	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|B<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	102.4608	0.191	6	102.4608	0.036	6	102.4608	0.036	6	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	102.5330	0.000	1	102.5330	0.000	1	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	101.1340	0.228	2	101.1340	0.052	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	101.0460	0.000	1	101.0460	0.000	1	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	100.9990	0.035	2	100.9990	0.001	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	100.3200	0.000	1	100.3200	0.000	1	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	100.1820	0.000	1	100.1820	0.000	1	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	101.6160	0.185	2	101.6160	0.034	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	100.0130	0.000	1	100.0790	0.009	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	100.1450	0.000	1	100.0790	0.009	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	100.4670	0.453	2	100.4670	0.205	2	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	99.3949	0.417	5	99.4797	0.182	6	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	99.9040	0.000	1	99.4797	0.182	6	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|O<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<4>,1|O<2>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	100.8600	0.000	1	100.8600	0.000	1	100.4957	0.815	21	101.0695	1.496	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	99.9718	0.000	1	100.0439	0.010	2	100.0439	0.010	2	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){3|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>}	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	100.1160	0.000	1	100.0439	0.010	2	100.0439	0.010	2	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2)	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a])	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCO){1|C<3>,1|O<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	102.1483	0.031	3	102.1483	0.001	3	102.1432	0.001	4	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO)	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(COO){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	102.1280	0.000	1	102.1280	0.000	1	102.1432	0.001	4	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCO)	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(CCO){1|C<3>,1|O<1>}	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.8320	0.646	2	110.8320	0.418	2	110.8320	0.418	2	104.5114	21.992	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:3:	4:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	102.0053	0.043	3	102.0053	0.002	3	102.0053	0.002	3	102.0053	0.002	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CFNN)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CFNN){1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	100.4070	0.027	3	100.4070	0.001	3	100.8145	1.753	8	100.8145	1.753	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN3)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN3){1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	100.7720	0.000	1	100.7720	0.000	1	100.8145	1.753	8	100.8145	1.753	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN[6]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]H)	C[5a](N[5a]N[5a])2(CN[6]HH){1|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<4>}	101.1308	1.947	4	101.1308	3.790	4	100.8145	1.753	8	100.8145	1.753	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:B-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	C[5a](N[5a]N[5a])2(CN3)	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]B)	C[5a](N[5a]N[5a])2(CN3){1|B<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(BN[5a]HH){1|C<4>}	101.7125	0.043	2	101.7125	0.002	2	101.7125	0.002	2	101.7357	0.003	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	2:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH)	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<4>}	101.7820	0.000	1	101.7820	0.000	1	101.7820	0.000	1	101.7357	0.003	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	102.8010	0.000	1	102.8010	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.7050	0.000	1	102.7050	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.7982	0.703	8	102.7393	0.464	9	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.2680	0.000	1	102.7393	0.464	9	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.5610	0.059	2	102.5610	0.004	2	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	101.6080	0.301	2	101.6080	0.091	2	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.5940	0.000	1	102.5940	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>}	102.0330	0.000	1	102.0330	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	101.4960	0.000	1	101.4960	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.0950	0.000	1	102.0950	0.000	1	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	102.1617	0.231	3	102.1617	0.053	3	102.4182	0.369	22	102.4182	0.369	22	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CF3){1|C<3>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>}	100.8990	0.000	1	100.8990	0.000	1	101.8210	1.700	2	101.6653	0.923	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){1|C<4>}	102.7430	0.000	1	102.7430	0.000	1	101.8210	1.700	2	101.6653	0.923	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:S-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO){1|S<4>}	101.3540	0.000	1	101.3540	0.000	1	101.3540	0.000	1	101.6653	0.923	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B){1|C<4>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	102.9410	0.064	3	102.9410	0.004	3	102.9410	0.004	3	102.5708	0.551	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CCFF){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	101.4600	0.000	1	101.4600	0.000	1	101.4600	0.000	1	102.5708	0.551	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	102.5450	0.098	2	102.5450	0.010	2	102.6868	0.031	4	103.1704	0.427	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	102.8285	0.063	2	102.8285	0.004	2	102.6868	0.031	4	103.1704	0.427	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CC3){1|C<3>,1|O<1>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	103.5975	0.001	2	103.5975	0.000	2	103.8153	0.142	3	103.1704	0.427	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.2510	0.000	1	104.2510	0.000	1	103.8153	0.142	3	103.1704	0.427	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	4:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	102.3850	0.000	1	102.3850	0.000	1	102.3850	0.000	1	102.3850	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	6:2:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	C[5a](N[5a]N[5a])2(CH3){1|Si<6>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	103.1750	0.000	1	103.2705	0.018	2	103.2705	0.018	2	103.2705	0.018	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	6:2:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C)	C[5a](N[5a]N[5a])2(CH3)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](N[5a]N[5a]Si[5])(C[5a]N[5a]C){2|N<2>,3|N<3>}	C[5a](N[5a]N[5a])2(CH3){1|Si<6>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	103.3660	0.000	1	103.2705	0.018	2	103.2705	0.018	2	103.2705	0.018	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	2:2:4:	8:3:2:	N[5a]-3:C[5a]-3:	N[5a]-2:N[5a]-2:C-4:	Nb[3x3]-8:C[5a]-3:N[5a]-2:	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C){1|C<4>,7|N<3>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|Nb<8>,1|C<4>}	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,7|C<3>}	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	103.0590	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|H<1>}	103.8140	0.000	1	103.8140	0.000	1	103.4995	0.198	2	103.4995	0.198	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|H<1>}	N[5a](N[5a]C[5a])2(H){2|H<1>}	103.1850	0.000	1	103.1850	0.000	1	103.4995	0.198	2	103.4995	0.198	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br)	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(Br){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	104.4440	0.000	1	104.4440	0.000	1	104.4440	0.000	1	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	103.7175	0.612	2	103.7175	0.374	2	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CCHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	104.2720	0.000	1	104.2720	0.000	1	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CC[6a]CH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	103.2154	0.349	5	103.2154	0.122	5	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	103.2790	0.204	4	103.2790	0.042	4	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	103.3230	0.000	1	103.3230	0.000	1	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]N[5a]C){1|C<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|H<1>,1|O<2>,2|C<4>}	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	103.1940	0.000	1	103.1940	0.000	1	103.3869	0.171	14	103.4574	0.233	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	108.5090	0.000	1	105.4092	2.236	15	105.4092	2.236	15	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	105.1878	1.271	14	105.4092	2.236	15	105.4092	2.236	15	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	104.9990	0.000	1	104.9990	0.000	1	104.9990	0.000	1	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	105.8440	0.283	4	105.8440	0.080	4	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	105.8390	0.000	1	105.8390	0.000	1	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.8165	0.265	2	105.8165	0.070	2	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	106.4620	0.000	1	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	106.1350	0.000	1	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	105.7890	0.000	1	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.0810	0.000	1	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	106.3100	0.143	2	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.6360	0.191	2	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	105.6897	0.260	3	106.1298	0.158	11	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	105.9670	0.000	1	105.7748	0.069	10	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	105.7060	0.245	8	105.7748	0.069	10	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	106.1330	0.000	1	105.7748	0.069	10	105.9294	0.121	28	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|I<1>,2|C<3>}	106.1580	0.000	1	106.1580	0.000	1	106.1580	0.000	1	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(Cl){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Cl<1>,1|N<2>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|N<2>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	103.9280	0.000	1	107.5272	6.414	5	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	108.4270	1.776	4	107.5272	6.414	5	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|H<1>}	105.1760	0.000	1	105.1760	0.000	1	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	103.9810	0.000	1	103.9810	0.000	1	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	105.2142	0.413	4	105.0197	0.202	6	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.6305	0.206	2	105.0197	0.202	6	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.7525	0.054	2	104.7525	0.003	2	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<2>,1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	109.2350	0.000	1	106.2977	6.532	3	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.8290	0.349	2	106.2977	6.532	3	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(H){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	104.1550	0.317	7	104.1550	0.100	7	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.2200	1.230	6	105.2200	1.512	6	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	103.3120	0.000	1	103.3120	0.000	1	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	104.7550	0.000	1	104.7550	0.000	1	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	105.3808	0.759	5	105.3808	0.576	5	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	105.2650	1.745	10	105.2650	3.043	10	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|H<1>}	105.7215	2.064	2	105.7215	4.260	2	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	105.3440	0.000	1	105.3440	0.000	1	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|S<6>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<6>}	105.1563	0.234	3	105.1563	0.055	3	105.2887	2.387	54	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	105.8887	0.475	3	105.8887	0.226	3	105.8887	0.226	3	105.4831	1.722	103	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>,1|O<2>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.5190	0.000	1	103.5190	0.000	1	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	102.6711	0.446	8	102.6711	0.199	8	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.1620	0.000	1	103.1620	0.000	1	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){3|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	102.9650	0.262	2	102.9650	0.068	2	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.1385	0.271	4	103.1385	0.073	4	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	102.4470	0.000	1	102.4470	0.000	1	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	103.4660	0.000	1	103.4660	0.000	1	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	102.8612	0.342	6	103.0144	0.446	21	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	103.0500	0.202	2	103.0144	0.446	21	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,1|S<2>,2|C<3>,2|H<1>}	102.9625	0.490	2	103.0144	0.446	21	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	103.0390	0.105	2	103.0144	0.446	21	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|N<3>,2|C<3>,3|H<1>}	103.1148	0.987	9	103.0144	0.446	21	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	103.3770	0.731	3	103.3501	0.244	8	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|I<1>,2|C<3>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	103.3340	0.400	5	103.3501	0.244	8	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[5a]N[5a]S)(N[5a]N[5a])(H){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	103.3310	0.000	1	103.3310	0.000	1	103.0392	0.321	48	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(I){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|I<1>,2|C<3>,3|H<1>}	102.6677	0.386	3	102.8976	0.104	8	102.8976	0.104	8	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:I-1:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(I)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(I){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|C<3>,2|H<1>,2|I<1>}	103.0356	0.209	5	102.8976	0.104	8	102.8976	0.104	8	103.0190	0.290	56	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Br<1>,1|H<1>,2|C<3>}	105.0800	0.109	2	105.0800	0.012	2	105.0800	0.012	2	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Cl<1>,1|H<1>,2|C<3>}	104.3000	0.000	1	104.3000	0.000	1	104.3000	0.000	1	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN){2|C<3>,2|H<1>}	105.8060	0.000	1	105.8060	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	105.6308	0.395	6	105.6308	0.156	6	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	106.0280	0.000	1	106.0280	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	105.0870	0.000	1	105.0870	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN){2|C<3>,2|H<1>}	105.7320	0.000	1	105.7320	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS){2|C<3>,2|H<1>}	106.3790	0.000	1	106.3790	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN){2|C<3>,2|H<1>}	106.5410	0.000	1	106.5410	0.000	1	105.7798	0.218	12	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO){2|C<3>,2|H<1>}	104.6960	0.000	1	104.6960	0.000	1	104.6960	0.000	1	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	106.7163	0.326	3	106.7163	0.106	3	106.7163	0.106	3	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	104.2580	0.481	2	104.2580	0.231	2	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<2>,1|H<1>}	103.8740	0.000	1	103.8740	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC){2|H<1>}	102.9320	0.000	1	102.9320	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	103.4730	0.000	1	103.4730	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	104.0908	0.305	6	104.0908	0.093	6	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	103.4683	0.511	11	103.4683	0.261	11	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O){2|H<1>}	103.7787	0.012	3	103.7787	0.000	3	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	104.2985	0.070	2	104.2985	0.005	2	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	103.6570	0.000	1	103.6570	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	103.8090	0.466	18	103.8090	0.217	18	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	103.3507	0.525	3	103.3507	0.275	3	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC){2|H<1>}	104.5140	0.000	1	104.5140	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS){2|H<1>}	103.8550	0.000	1	103.8550	0.000	1	103.7660	0.243	51	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	102.8780	0.000	1	102.8780	0.000	1	103.3200	0.391	2	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH){2|H<1>}	103.7620	0.000	1	103.7620	0.000	1	103.3200	0.391	2	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	103.8973	0.271	3	103.8973	0.073	3	103.8973	0.073	3	104.2541	1.044	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C){2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(H){2|H<1>,3|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	105.7570	0.000	1	105.7570	0.000	1	105.7570	0.000	1	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){2|C<4>}	C[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]N[5a])(H){1|H<1>,4|C<4>}	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	104.1500	0.000	1	104.1500	0.000	1	105.2160	0.748	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|S<2>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	105.0060	0.000	1	105.0060	0.000	1	105.2160	0.748	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.2070	0.000	1	106.2070	0.000	1	105.2160	0.748	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|S<1>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	105.5010	0.000	1	105.5010	0.000	1	105.2160	0.748	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	105.7597	0.733	4	105.7597	0.538	4	105.7597	0.538	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	105.4860	0.325	4	105.5732	0.117	5	105.3358	0.138	11	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	105.9220	0.000	1	105.5732	0.117	5	105.3358	0.138	11	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	105.0558	0.221	5	105.1380	0.079	6	105.3358	0.138	11	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:Cl-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	105.5490	0.000	1	105.1380	0.079	6	105.3358	0.138	11	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	106.9120	0.000	1	106.9120	0.000	1	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	106.3253	0.264	9	106.3253	0.070	9	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	106.5420	0.000	1	106.5420	0.000	1	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	105.1980	0.280	2	105.1980	0.078	2	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	106.1590	0.127	3	106.1590	0.016	3	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	106.7855	0.288	2	106.4121	0.084	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	106.1930	0.021	2	106.4121	0.084	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	106.4515	0.028	2	106.4121	0.084	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.3740	0.000	1	106.4121	0.084	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	106.0630	0.000	1	106.4121	0.084	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	105.3873	0.281	12	105.7812	0.213	34	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	105.4507	0.319	4	105.7812	0.213	34	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.1444	0.334	5	105.7812	0.213	34	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.0709	0.225	11	105.7812	0.213	34	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|Cl<1>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	106.3045	0.689	2	105.7812	0.213	34	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	106.6580	0.000	1	106.0470	0.747	2	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	105.4360	0.000	1	106.0470	0.747	2	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	105.9420	0.000	1	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	105.0540	0.081	2	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	105.8910	0.281	2	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	106.5560	0.000	1	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|S<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	106.4520	0.000	1	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|O<1>,2|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	105.6330	0.000	1	105.8091	0.323	8	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	106.4850	0.000	1	106.4850	0.000	1	105.9734	0.268	69	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	105.5385	0.852	2	105.5385	0.726	2	105.5385	0.726	2	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br){1|Br<1>,1|B<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	105.2510	0.000	1	105.2510	0.000	1	105.3000	0.230	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br){1|B<4>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	105.3163	0.586	3	105.3163	0.344	3	105.3000	0.230	4	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	103.9250	0.364	3	103.9250	0.133	3	103.9250	0.133	3	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(Br){1|Br<1>,1|P<4>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	103.1602	1.752	6	103.1602	3.068	6	103.1602	3.068	6	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:Cl-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl)	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]C){1|Ni<4>,1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(Cl){1|Ni<4>,1|C<4>}	N[5a](C[5a]C[5a]Ni)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<3>}	103.2330	0.000	1	103.2330	0.000	1	103.2330	0.000	1	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	106.0820	0.000	1	106.0820	0.000	1	105.5895	1.616	24	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	105.7733	1.409	11	105.7733	1.986	11	105.5895	1.616	24	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	104.9315	0.370	6	104.9315	0.137	6	105.5895	1.616	24	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	105.8287	1.617	6	105.8287	2.615	6	105.5895	1.616	24	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.0300	0.301	2	105.0300	0.091	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<4>,1|S<4>,2|N<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.7333	0.244	3	105.7333	0.060	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	104.0660	0.566	2	104.0660	0.320	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.3130	0.025	2	104.6233	0.436	6	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	104.7785	0.794	4	104.6233	0.436	6	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	104.1773	0.275	3	104.1773	0.076	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	105.0670	0.000	1	105.0670	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.6590	0.000	1	104.6590	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.0205	0.373	4	105.0205	0.139	4	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.9540	0.000	1	104.0443	0.462	7	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	103.7644	0.573	5	104.0443	0.462	7	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	104.5340	0.000	1	104.0443	0.462	7	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	104.9540	0.000	1	104.9540	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	104.1225	0.421	6	104.1225	0.177	6	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.5090	0.194	2	104.5090	0.038	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	104.2220	0.000	1	104.2220	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Cl<1>,1|B<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H){1|B<3>,1|C<4>}	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	105.3580	0.000	1	105.3580	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]F)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|F<1>}	C[5a](C[5a]C[5a]F)(N[5a]N[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	105.8370	0.000	1	105.8370	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	103.7440	0.000	1	103.7440	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	105.4120	0.000	1	105.4120	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	104.5210	0.000	1	104.5210	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	103.8390	0.000	1	103.8390	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	105.3105	1.956	11	105.3105	3.826	11	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	104.1740	0.291	4	104.1740	0.085	4	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	104.1910	0.096	2	104.1910	0.009	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	104.1017	0.390	3	104.1017	0.152	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	104.0541	0.577	22	104.0541	0.333	22	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	103.9783	0.354	3	103.9783	0.125	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	103.8130	0.000	1	103.8130	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	103.5047	0.607	7	103.5047	0.369	7	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	103.8120	0.000	1	103.8120	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	104.0295	0.483	2	104.0295	0.233	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	103.8594	0.573	71	103.8594	0.328	71	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	103.6021	0.392	14	103.6021	0.153	14	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	103.9779	0.432	14	103.9779	0.186	14	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	103.7290	0.000	1	103.7290	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	103.8820	0.000	1	103.8820	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	104.1215	0.200	2	104.1153	0.073	6	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	104.1122	0.330	4	104.1153	0.073	6	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	105.2610	0.000	1	105.2610	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	103.8070	1.024	2	103.8070	1.048	2	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	105.2630	0.000	1	105.2630	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	105.0580	0.000	1	105.0580	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	104.2885	0.340	4	104.2885	0.116	4	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	104.8890	0.000	1	104.7067	0.287	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	104.6155	0.723	2	104.7067	0.287	3	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	105.3690	0.000	1	105.3690	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	104.7890	0.000	1	104.7890	0.000	1	104.1425	0.645	222	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|P<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu){2|H<1>}	104.2343	0.800	3	104.2343	0.641	3	104.2343	0.641	3	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<2>,1|H<1>}	104.9860	0.000	1	104.9860	0.000	1	104.0805	1.640	2	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|S<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){2|H<1>}	103.1750	0.000	1	103.1750	0.000	1	104.0805	1.640	2	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:I-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(I)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(I){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	105.3260	0.112	2	105.3260	0.012	2	105.3260	0.012	2	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(H){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	103.9520	0.000	1	103.9520	0.000	1	103.9520	0.000	1	104.6686	1.278	359	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	104.0040	0.000	1	104.0040	0.000	1	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	104.6030	0.000	1	104.6030	0.000	1	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	103.6970	0.000	1	103.5320	0.044	4	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	103.2300	0.000	1	103.5320	0.044	4	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.6005	0.056	2	103.5320	0.044	4	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	103.8600	0.000	1	103.8600	0.000	1	103.7993	0.185	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H){1|N<3>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	106.6080	0.000	1	106.6080	0.000	1	106.6080	0.000	1	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	104.5050	0.069	2	104.5050	0.005	2	104.2335	0.108	8	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	103.9780	0.000	1	103.9780	0.000	1	104.2335	0.108	8	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	104.3015	0.261	4	104.1760	0.130	5	104.2335	0.108	8	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	103.6740	0.000	1	104.1760	0.130	5	104.2335	0.108	8	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	106.2760	0.000	1	106.2760	0.000	1	106.2760	0.000	1	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|S<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	105.7050	0.000	1	105.7050	0.000	1	105.9743	0.078	3	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	106.2640	0.000	1	106.1090	0.048	2	105.9743	0.078	3	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	105.9540	0.000	1	106.1090	0.048	2	105.9743	0.078	3	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	105.2980	0.000	1	105.2980	0.000	1	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.1280	0.000	1	105.1280	0.000	1	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	105.5440	0.018	2	105.5440	0.000	2	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	106.1225	0.334	4	106.1225	0.112	4	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.1480	0.206	2	106.5186	0.252	10	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|O<2>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.1670	0.000	1	106.5186	0.252	10	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	106.8188	0.396	6	106.5186	0.252	10	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	105.8100	0.000	1	106.5186	0.252	10	106.1772	0.380	18	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(Br)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(Br){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	102.6570	0.000	1	102.6570	0.000	1	102.6570	0.000	1	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Br-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(Br)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(Br){2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	103.3113	0.569	3	103.3113	0.324	3	103.3113	0.324	3	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.1310	0.000	1	104.1310	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,3|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	104.8380	0.000	1	104.8380	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.5955	0.370	2	104.7640	0.154	3	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.1010	0.000	1	104.7640	0.154	3	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	104.6480	0.000	1	103.9067	0.688	6	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	103.5343	1.058	3	103.9067	0.688	6	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	103.8060	0.000	1	103.9067	0.688	6	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.3830	0.000	1	103.9067	0.688	6	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.2760	0.000	1	104.0820	0.117	4	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.0173	0.388	3	104.0820	0.117	4	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	104.1680	0.335	2	104.1745	0.122	8	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.0355	0.404	4	104.1745	0.122	8	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	104.3840	0.000	1	104.1745	0.122	8	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.5340	0.000	1	104.1745	0.122	8	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	104.1410	0.000	1	104.1410	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.0190	0.000	1	104.0190	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.7440	0.233	3	103.7440	0.054	3	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	104.1195	0.200	2	104.1195	0.040	2	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	104.2273	0.331	7	104.2273	0.110	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	103.1000	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	104.2990	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.5030	0.359	2	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	104.2778	0.526	13	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	105.0230	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	104.4840	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3110	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.9995	2.141	17	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	101.7890	0.000	1	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.9375	0.916	2	104.1122	2.242	40	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	103.4822	0.257	5	103.4822	0.066	5	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	104.8500	0.000	1	104.1684	0.302	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	103.9475	0.684	2	104.1684	0.302	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	104.6050	0.000	1	104.1684	0.302	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	103.4010	0.000	1	104.1684	0.302	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	104.2140	0.006	2	104.1684	0.302	7	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.9440	0.000	1	103.9440	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Pd<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|Pd<4>,1|C<3>}	N[5a](C[5a]C[5a]Pd)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	102.5500	0.000	1	102.5500	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	104.8430	0.000	1	104.8430	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	104.5010	0.000	1	104.5010	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	104.3940	0.000	1	104.3940	0.000	1	104.0953	1.108	94	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.5107	0.266	7	103.5107	0.071	7	103.5107	0.071	7	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	103.9310	0.496	2	103.9310	0.246	2	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	103.8710	0.000	1	103.8710	0.000	1	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	103.9050	0.000	1	103.5897	0.132	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	103.6720	0.000	1	103.5897	0.132	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	103.1920	0.000	1	103.5897	0.132	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	104.0190	0.000	1	104.0190	0.000	1	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.3910	0.000	1	104.5970	0.085	2	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.8030	0.000	1	104.5970	0.085	2	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	103.8805	0.373	2	104.1373	0.267	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|H<1>,2|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.6510	0.000	1	104.1373	0.267	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	104.1835	0.360	2	104.1835	0.130	2	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.8738	0.150	5	103.8738	0.023	5	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	104.2110	0.000	1	103.7787	0.223	59	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	103.6318	0.350	6	103.7787	0.223	59	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	103.7877	0.509	47	103.7787	0.223	59	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	103.8110	0.205	2	103.7787	0.223	59	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.7643	0.151	3	103.7787	0.223	59	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	103.6530	0.000	1	103.6530	0.000	1	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	104.5133	0.026	3	104.5133	0.001	3	103.8536	0.220	82	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	103.8810	0.192	2	106.4650	20.050	3	105.8092	15.086	4	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	111.6330	0.000	1	106.4650	20.050	3	105.8092	15.086	4	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	103.8420	0.000	1	103.8420	0.000	1	105.8092	15.086	4	104.2088	1.298	229	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:B-4:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	105.9880	0.000	1	105.9880	0.000	1	105.9880	0.000	1	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C-4:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	107.3920	0.000	1	107.3920	0.000	1	107.3920	0.000	1	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	104.5330	0.000	1	104.7997	0.097	3	104.7997	0.097	3	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:Br-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Br){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	104.9330	0.297	2	104.7997	0.097	3	104.7997	0.097	3	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	106.4120	0.000	1	106.4120	0.000	1	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	106.4720	0.000	1	106.3150	0.049	2	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	106.1580	0.000	1	106.3150	0.049	2	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	106.1420	0.000	1	106.2342	0.119	6	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	106.4165	0.245	2	106.2342	0.119	6	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	106.1433	0.466	3	106.2342	0.119	6	106.2719	0.084	9	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:I-1:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(I){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	105.4850	0.000	1	105.4850	0.000	1	105.4850	0.000	1	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	104.1690	0.000	2	104.1690	0.000	2	104.1690	0.000	2	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	104.3605	0.121	4	104.3605	0.015	4	104.2442	0.079	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	103.7790	0.000	1	103.7790	0.000	1	104.2442	0.079	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,5|H<1>}	104.7570	0.000	1	104.7570	0.000	1	104.0618	0.377	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	104.3270	0.000	1	104.3270	0.000	1	104.0618	0.377	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|O<1>,2|C<4>,4|H<1>}	103.0860	0.000	1	103.7417	0.323	3	104.0618	0.377	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,2|C<4>,5|H<1>}	104.0580	0.000	1	103.7417	0.323	3	104.0618	0.377	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a]){1|W<7>,3|H<1>,4|C<4>}	104.0810	0.000	1	103.7417	0.323	3	104.0618	0.377	5	105.1696	1.237	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	103.1110	0.000	1	103.2795	0.057	2	103.2795	0.057	2	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	103.4480	0.000	1	103.2795	0.057	2	103.2795	0.057	2	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	102.8010	0.000	1	102.8010	0.000	1	102.8890	0.015	2	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	N[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	102.9770	0.000	1	102.9770	0.000	1	102.8890	0.015	2	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	103.3450	0.072	3	103.3450	0.005	3	103.3145	0.007	4	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	N[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<4>,2|C<3>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	103.2230	0.000	1	103.2230	0.000	1	103.3145	0.007	4	103.1994	0.050	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	104.6968	1.752	17	104.6968	3.068	17	104.8494	3.307	18	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	107.4450	0.000	1	107.4450	0.000	1	104.8494	3.307	18	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	102.2070	0.000	1	102.2070	0.000	1	103.9694	0.358	81	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	104.0303	0.982	21	104.0303	0.965	21	103.9694	0.358	81	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	104.0116	0.293	50	104.0116	0.086	50	103.9694	0.358	81	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	103.9795	0.169	2	103.9795	0.029	2	103.9694	0.358	81	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	103.7344	0.492	7	103.7344	0.243	7	103.9694	0.358	81	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	106.1940	0.260	2	106.1940	0.068	2	106.1940	0.068	2	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B[5a]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	105.8290	0.806	2	105.8290	0.650	2	105.8290	0.650	2	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	104.8300	0.000	1	104.8300	0.000	1	104.6393	0.091	7	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|H<1>,3|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	104.6183	0.348	4	104.6183	0.121	4	104.6393	0.091	7	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|B<4>,1|H<1>}	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	104.5860	0.376	2	104.5860	0.142	2	104.6393	0.091	7	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	103.8245	0.510	2	103.8245	0.260	2	103.8245	0.260	2	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<4>,3|C<3>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	104.8270	0.000	1	104.8270	0.000	1	104.4520	0.116	3	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[6]C[6,6]C[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,2|C<4>,5|H<1>}	104.3670	0.000	1	104.3670	0.000	1	104.4520	0.116	3	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<4>,1|H<1>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,4|H<1>}	104.1620	0.000	1	104.1620	0.000	1	104.4520	0.116	3	104.2290	0.996	115	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	5:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:H-1:	P[5]-5:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|O<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|H<1>,1|P<5>}	N[5a](P[5]N[5]O[5]OO)(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	104.4220	0.000	1	104.4220	0.000	1	104.4220	0.000	1	104.4220	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H)	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	101.4300	0.000	1	101.4300	0.000	1	101.4300	0.000	1	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|H<1>}	N[5a](N[5a]C[5a])2(H){2|C<2>}	103.2327	0.155	4	103.1790	0.032	5	103.1790	0.032	5	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CN){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<2>,1|C<3>}	102.9640	0.000	1	103.1790	0.032	5	103.1790	0.032	5	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]O)(N[5a]N[5a]H){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(OH){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<4>,1|O<2>}	102.8440	0.000	1	102.8440	0.000	1	102.8440	0.000	1	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[6]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	101.0658	0.462	4	101.0658	0.213	4	101.0658	0.213	4	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	104.0900	0.000	1	103.0795	2.042	2	103.0795	2.042	2	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]H){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|C<3>}	102.0690	0.000	1	103.0795	2.042	2	103.0795	2.042	2	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<3>}	C[5a](N[5]C[5,6a]N[5])(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	102.4230	0.000	1	102.4230	0.000	1	101.2480	2.761	2	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H)	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5]C[5]N[5])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	100.0730	0.000	1	100.0730	0.000	1	101.2480	2.761	2	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	100.1680	0.000	1	100.1680	0.000	1	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	102.7560	0.000	1	102.7560	0.000	1	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	99.7469	0.000	1	100.0646	0.220	7	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	99.6979	0.000	1	100.0646	0.220	7	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	99.7696	0.000	2	100.0646	0.220	7	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|N<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(H){1|N<3>}	100.4893	0.429	3	100.0646	0.220	7	100.3751	0.963	9	101.5193	2.019	24	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2{2|N<2>,2|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(NHH){1|C<3>}	100.3700	0.000	1	100.3700	0.000	1	100.3700	0.000	1	100.3700	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](N[5a]C[5a])2(CC[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	102.6720	0.000	1	102.6720	0.000	1	102.6720	0.000	1	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	101.4457	0.836	3	101.4457	0.699	3	101.4195	0.469	4	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|I<1>,1|N<2>,2|C<4>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	101.3410	0.000	1	101.3410	0.000	1	101.4195	0.469	4	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:Si-4:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si)	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3)	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]Si){2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a])2{1|Si<4>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(SiC3){1|C<3>}	102.8955	0.053	2	102.8955	0.003	2	102.8955	0.003	2	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCCH){1|C<3>}	101.0495	0.231	2	101.0495	0.053	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	101.6565	0.005	2	101.7537	0.215	6	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	102.6360	0.000	1	101.7537	0.215	6	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	101.5243	0.245	3	101.7537	0.215	6	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHO){1|C<3>}	101.6617	0.640	3	101.6617	0.410	3	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]3){1|C<3>}	102.1840	0.373	2	102.1840	0.139	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	101.5970	0.000	1	101.4565	0.039	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HH){1|C<3>}	101.3160	0.000	1	101.4565	0.039	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC[6a]HO){1|C<3>}	102.1390	0.000	1	102.1390	0.000	1	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>}	102.2110	0.786	2	102.2110	0.618	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CHHO){1|C<3>}	101.7790	0.000	1	101.7790	0.000	1	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[5a]HH){1|C<3>}	101.6635	0.016	2	101.6635	0.000	2	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CN[6]HH){1|C<3>}	101.7160	0.000	1	101.7160	0.000	1	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CC3){1|C<3>}	101.9400	0.000	1	101.9400	0.000	1	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a])(N[5a]N[5a])(CCHH){1|C<3>}	101.3280	0.000	1	101.3280	0.000	1	101.7308	0.222	24	101.7961	0.345	31	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|C<3>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,3|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.3690	0.000	1	102.3690	0.000	1	102.3690	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(OH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(OH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	104.2500	0.000	1	104.2500	0.000	1	104.2500	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(OH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|C<3>}	105.6605	0.018	2	105.6605	0.000	2	105.6927	0.003	3	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	105.7570	0.000	1	105.7570	0.000	1	105.6927	0.003	3	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	103.6190	0.506	2	103.6190	0.256	2	104.1945	1.433	4	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	103.6040	0.000	1	103.6040	0.000	1	104.1945	1.433	4	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	105.9360	0.000	1	105.9360	0.000	1	104.1945	1.433	4	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	102.1930	0.000	1	102.1930	0.000	1	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	101.7740	0.000	1	101.7740	0.000	1	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.0030	0.301	2	102.3168	0.161	5	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.5260	0.334	3	102.3168	0.161	5	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.0895	0.299	2	102.2426	0.127	5	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){3|N<2>}	C[5a](C[5a]N[5a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.3447	0.412	3	102.2426	0.127	5	102.2303	0.127	12	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	104.0360	0.000	1	104.0360	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	103.3190	0.000	1	103.3190	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	103.6130	0.000	1	103.6130	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(OH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	104.9193	1.755	3	104.9193	3.081	3	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	104.4860	0.000	1	104.4860	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	103.8510	0.000	1	103.8510	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|O<2>}	104.9290	0.000	1	104.9290	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|O<2>,1|S<4>}	104.6180	0.000	1	104.6180	0.000	1	104.3610	1.057	10	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	104.0440	0.000	1	104.0440	0.000	1	104.0440	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	102.4210	0.000	1	102.4210	0.000	1	102.4210	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	102.6070	0.000	1	102.6070	0.000	1	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	104.5320	0.000	1	102.5634	0.887	7	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	102.2140	0.000	1	102.5634	0.887	7	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	102.2396	0.448	5	102.5634	0.887	7	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	102.2977	0.324	4	102.2977	0.105	4	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.5734	0.231	9	102.5734	0.054	9	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	102.5780	0.000	1	102.5780	0.000	1	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|S<2>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H){1|C<3>}	102.6273	0.510	3	102.6273	0.260	3	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	101.9270	0.000	1	102.0940	0.122	3	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	102.1775	0.450	2	102.0940	0.122	3	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	102.8500	0.197	2	102.8500	0.039	2	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	102.1380	0.000	1	102.1380	0.000	1	102.4995	0.268	31	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H){1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H){1|C<3>}	104.4830	0.000	1	104.4830	0.000	1	104.4830	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]2)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,4|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	101.0050	0.000	1	101.0050	0.000	1	101.0050	0.000	1	103.0820	1.569	67	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|H<1>,1|O<2>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	101.6640	0.000	1	101.9023	0.028	6	101.9023	0.028	6	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	102.1670	0.000	1	101.9023	0.028	6	101.9023	0.028	6	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	101.8405	0.016	2	101.9023	0.028	6	101.9023	0.028	6	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{5|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	101.9510	0.007	2	101.9023	0.028	6	101.9023	0.028	6	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CN){3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	102.8250	0.000	1	102.8250	0.000	1	102.8250	0.000	1	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)	C[5a](C[5a]N[5a]Ir)(N[5a]N[5a])(NN)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N){1|Ir<6>,2|C<3>}	C[5a](C[5a]N[5a]Ir)(N[5a]N[5a])(NN){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Ir<6>,1|N<2>,2|C<3>,2|C<4>}	101.2775	0.012	2	101.2775	0.000	2	101.2775	0.000	2	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SC[6a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(SC[6a]){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|S<2>,2|C<3>,3|H<1>}	103.1350	0.000	1	103.1350	0.000	1	103.1350	0.000	1	101.9929	0.357	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:S-2:	C[5a,6]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	104.6545	0.028	2	104.6545	0.001	2	104.6545	0.001	2	104.1284	0.875	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	104.4930	0.000	1	104.4930	0.000	1	104.4320	0.007	2	104.1284	0.875	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<2>,1|S<2>}	104.3710	0.000	1	104.3710	0.000	1	104.4320	0.007	2	104.1284	0.875	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){3|C<3>}	102.4690	0.000	1	102.4690	0.000	1	102.4690	0.000	1	104.1284	0.875	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:N-2:	C[5,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NN)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NN){1|N<4>,2|C<4>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	105.6610	0.000	1	105.6610	0.000	1	105.6610	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NS){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	104.9700	0.000	1	104.9700	0.000	1	104.9700	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:O-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	103.7590	0.000	1	103.7590	0.000	1	103.7590	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(SC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(SC){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	105.1540	0.000	1	105.1540	0.000	1	105.1540	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NN){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	105.2130	0.000	1	105.2130	0.000	1	105.2130	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	102.6660	0.000	1	102.6660	0.000	1	102.2870	0.287	2	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	101.9080	0.000	1	101.9080	0.000	1	102.2870	0.287	2	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	104.2800	0.000	1	104.2800	0.000	1	104.2800	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OS){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<2>}	102.2760	0.000	1	102.2760	0.000	1	102.2760	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B){1|C<4>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	103.6930	0.000	1	103.6930	0.000	1	103.6930	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	102.3990	0.000	1	102.3990	0.000	1	102.3990	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	103.6730	0.000	1	103.6730	0.000	1	103.7507	0.040	3	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	103.9790	0.000	1	103.7895	0.072	2	103.7507	0.040	3	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	103.6000	0.000	1	103.7895	0.072	2	103.7507	0.040	3	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-2:N-2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(NC[6a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3){1|N<2>,2|C<3>}	105.4460	0.000	1	105.4460	0.000	1	105.4460	0.000	1	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:Ge-4:	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN)	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OC){1|Ge<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN){1|C<3>,1|O<2>}	103.9020	0.000	1	103.9020	0.000	1	103.9440	0.004	2	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:4:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:O-2:	C[5a]-3:N[5a]-2:Ge-4:	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN)	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(OGe){1|Ge<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN){1|C<3>,1|O<2>}	103.9860	0.000	1	103.9860	0.000	1	103.9440	0.004	2	103.9156	1.292	17	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	102.4020	0.000	1	102.4020	0.000	1	102.4020	0.000	1	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	103.5920	0.000	1	103.1722	0.435	13	102.9699	0.498	18	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	103.3192	0.640	9	103.1722	0.435	13	102.9699	0.498	18	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	102.5910	0.531	3	103.1722	0.435	13	102.9699	0.498	18	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	102.2465	0.430	4	102.2465	0.185	4	102.9699	0.498	18	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	103.2340	0.000	1	103.2340	0.000	1	102.9699	0.498	18	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.0200	0.000	1	104.2085	0.071	2	104.2085	0.071	2	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a])	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.3970	0.000	1	104.2085	0.071	2	104.2085	0.071	2	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:S-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	104.1630	0.000	1	104.1630	0.000	1	104.7813	0.293	3	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:S-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|N<2>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(SC){1|C<3>,1|N<3>,2|N<2>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	105.0905	0.110	2	105.0905	0.012	2	104.7813	0.293	3	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.4690	0.000	1	105.6520	0.067	2	105.6520	0.067	2	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CN){3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	105.8350	0.000	1	105.6520	0.067	2	105.6520	0.067	2	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	106.9510	0.000	1	106.2713	0.369	3	106.2713	0.369	3	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NN){1|F<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	105.9315	0.214	2	106.2713	0.369	3	106.2713	0.369	3	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	105.2585	0.233	2	105.2585	0.054	2	105.2585	0.054	2	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	103.3443	0.125	4	103.3443	0.016	4	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	103.4795	0.394	2	103.4795	0.155	2	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	102.8928	0.334	11	102.9055	0.238	28	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	103.4753	0.348	3	102.9055	0.238	28	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	102.7934	0.549	14	102.9055	0.238	28	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	103.4940	0.000	1	103.4940	0.000	1	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	103.7160	0.000	1	103.7160	0.000	1	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|S<3>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	103.3050	0.000	1	103.3050	0.000	1	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CN){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	103.2050	0.000	1	103.2050	0.000	1	103.0371	0.234	38	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	103.4585	0.715	2	103.4585	0.511	2	103.6338	0.284	5	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	104.2720	0.000	1	104.2720	0.000	1	103.6338	0.284	5	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	103.4900	0.338	2	103.4900	0.114	2	103.6338	0.284	5	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(SC){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	103.4361	1.085	75	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:4:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(C[6]C[6]2H)(N[5a]C[5a]){2|C<4>,3|C<3>,4|H<1>}	102.8770	0.000	1	102.8770	0.000	1	102.8770	0.000	1	104.3905	4.581	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	104.3905	4.581	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	102.2660	0.000	1	102.0080	0.133	2	102.0080	0.133	2	102.0080	0.133	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	101.7500	0.000	1	102.0080	0.133	2	102.0080	0.133	2	102.0080	0.133	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:2:3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	B[5a]-4:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH){1|C<3>}	104.9480	0.218	2	104.9480	0.047	2	104.8101	0.334	9	104.8101	0.334	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:2:3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	B[5a]-4:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	104.8493	0.955	3	104.8493	0.912	3	104.8101	0.334	9	104.8101	0.334	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:2:3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:O[5a]-2:	B[5a]-4:N[5a]-2:C-3:	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a])	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])(O[5a]B[5a]){2|F<1>,2|H<1>,3|C<3>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	104.7117	0.489	4	104.7117	0.239	4	104.8101	0.334	9	104.8101	0.334	9	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	104.4485	0.383	2	104.4485	0.146	2	104.2390	0.205	3	103.6030	1.755	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:O-2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(OH){1|C<4>,1|H<1>}	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	103.8200	0.000	1	103.8200	0.000	1	104.2390	0.205	3	103.6030	1.755	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	4:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	101.6950	0.000	1	101.6950	0.000	1	101.6950	0.000	1	103.6030	1.755	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	6:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Si<6>,2|C<3>,2|H<1>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	103.2215	0.265	4	103.2215	0.070	4	102.9840	0.178	6	102.9840	0.178	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	6:2:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5])	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]Si[5]){2|C<3>,2|N<2>,3|N<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a])2{1|Si<6>,2|C<3>,2|H<1>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	102.5090	0.035	2	102.5090	0.001	2	102.9840	0.178	6	102.9840	0.178	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO){1|C<3>,1|H<1>,1|O<2>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	103.5710	0.000	1	103.8295	0.134	2	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(COO){1|C<3>,1|H<1>,1|S<2>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	104.0880	0.000	1	103.8295	0.134	2	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]O){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	103.4742	0.363	4	103.4742	0.132	4	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CNO){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<2>,1|C<3>}	103.9920	0.000	1	103.9920	0.000	1	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[5a]O)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[5a]O){1|Fe<10>,1|H<1>,2|C<4>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	103.0160	0.000	1	103.0160	0.000	1	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN[6]N)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(CN[6]N){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	104.0420	0.000	1	104.0420	0.000	1	103.6229	0.173	9	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	102.9330	0.000	1	102.9330	0.000	1	102.9330	0.000	1	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	103.5700	0.000	1	103.5700	0.000	1	102.6893	0.569	4	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO){1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	101.8430	0.000	1	101.8430	0.000	1	102.6893	0.569	4	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	102.9990	0.000	1	102.9990	0.000	1	102.6893	0.569	4	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(NOO){1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	102.3450	0.000	1	102.3450	0.000	1	102.6893	0.569	4	103.3069	0.435	14	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a])2(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	N[5a](N[5a]C[5a])2(CCO){2|C<3>}	103.8080	0.000	1	103.8080	0.000	1	103.8080	0.000	1	102.5126	0.975	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a])2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]C[5a])2(NHH){2|N<3>}	102.7665	0.641	2	102.7665	0.411	2	102.1887	0.600	4	102.5126	0.975	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a])2(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]N){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO){1|N<3>}	N[5a](N[5a]C[5a])2(NHH){2|N<3>}	101.6110	0.233	2	101.6110	0.054	2	102.1887	0.600	4	102.5126	0.975	5	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[5a]O){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	103.6540	0.000	1	103.6540	0.000	1	103.2570	0.210	7	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	102.6720	0.173	2	102.6720	0.030	2	103.2570	0.210	7	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CNN)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CNN){1|C<4>,2|N<2>}	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	103.3513	0.246	3	103.3513	0.061	3	103.2570	0.210	7	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|H<1>}	103.7470	0.000	1	103.7470	0.000	1	103.2570	0.210	7	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<3>,2|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(C[5]N[5]2){1|C<4>,2|N<2>}	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	103.4003	0.214	3	103.4003	0.046	3	103.4003	0.046	3	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	103.1210	0.000	1	103.1210	0.000	1	103.1973	0.341	3	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){2|N<3>}	103.8160	0.000	1	103.8160	0.000	1	103.1973	0.341	3	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]N)(N[5a]N[5a]C){1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(NOO){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){2|N<3>}	102.6550	0.000	1	102.6550	0.000	1	103.1973	0.341	3	103.2763	0.175	13	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H){1|N<2>,3|N<3>}	106.1730	0.379	5	106.1730	0.143	5	106.1730	0.143	5	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	104.3100	0.000	1	104.3100	0.000	1	104.3100	0.000	1	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(C[6]C[6]2){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	104.5230	0.000	1	104.5230	0.000	1	104.5230	0.000	1	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.3920	0.552	2	106.3920	0.304	2	105.8667	0.613	7	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]H){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.3250	0.000	1	106.3250	0.000	1	105.8667	0.613	7	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.5055	0.514	2	105.5055	0.264	2	105.8667	0.613	7	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.4735	1.334	2	105.4735	1.780	2	105.8667	0.613	7	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHN)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHN){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	104.9670	0.000	1	104.9670	0.000	1	104.9670	0.000	1	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N[6]-3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H){2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,6|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	105.8702	0.830	4	105.8702	0.689	4	105.8702	0.689	4	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCN){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.1690	0.000	1	105.1690	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	104.2475	0.525	4	104.2475	0.276	4	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){2|C<3>}	105.0070	0.000	1	105.0070	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	104.3590	0.000	1	104.3590	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]O){1|H<1>,1|P<4>,2|C<3>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){2|C<3>}	104.6530	0.000	1	104.6530	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHN){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	104.9600	0.000	1	104.9600	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	104.2320	0.000	1	104.2320	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.3520	0.000	1	104.8680	0.469	2	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.3840	0.000	1	104.8680	0.469	2	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	103.9060	0.000	1	103.9060	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.5190	0.000	1	103.8536	0.187	5	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	103.6873	0.256	4	103.8536	0.187	5	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	104.1973	0.074	3	104.2551	0.040	8	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	104.2898	0.251	5	104.2551	0.040	8	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.1020	0.038	2	104.1020	0.001	2	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.4814	0.515	39	104.4814	0.265	39	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	103.8773	0.147	3	103.8773	0.022	3	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	104.5920	0.000	1	104.5920	0.000	1	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(COO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.5260	0.505	3	105.5260	0.255	3	104.4338	0.298	74	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	104.4240	0.000	1	104.4240	0.000	1	104.7440	0.205	2	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	105.0640	0.000	1	105.0640	0.000	1	104.7440	0.205	2	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	103.7172	0.311	4	103.7172	0.097	4	103.7172	0.097	4	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NHH){1|C<4>,1|H<1>,1|N<2>,1|S<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.4440	0.000	1	104.4440	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NOO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	102.9805	0.467	2	102.9805	0.218	2	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(NOO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.0765	0.526	4	104.0765	0.276	4	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	104.2700	0.000	1	104.2600	0.000	2	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	104.2500	0.000	1	104.2600	0.000	2	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.3510	0.180	2	104.3510	0.032	2	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	103.8920	0.000	1	103.8920	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(NOO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	103.5530	0.000	1	103.5530	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	102.4440	0.938	3	103.0532	1.180	5	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	103.9670	0.419	2	103.0532	1.180	5	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	104.3000	0.000	1	104.3000	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	104.3280	0.491	3	104.3280	0.242	3	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	103.8660	0.116	4	103.8660	0.014	4	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	103.2740	0.444	2	103.2740	0.197	2	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	103.9935	0.562	4	103.9935	0.316	4	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	109.7860	0.000	1	109.7860	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	103.2440	0.000	1	103.2440	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|N<3>}	104.2747	0.308	3	104.2747	0.095	3	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	103.7820	0.000	1	103.7820	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	103.7333	0.416	3	103.7333	0.173	3	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	104.7560	0.000	1	104.7560	0.000	1	103.9882	1.269	42	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:O-1:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|N<3>,1|O<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O){2|N<3>}	104.6930	0.000	3	104.6930	0.000	3	104.6930	0.000	3	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N[5]-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(N[5]C[5]2){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	102.7495	0.641	2	102.7495	0.411	2	102.7495	0.411	2	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H){2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	105.6140	0.000	1	105.6140	0.000	1	105.6140	0.000	1	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CNN){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.4810	0.058	3	104.4810	0.003	3	104.4810	0.003	3	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	102.3540	0.000	1	102.3540	0.000	1	102.4791	0.070	9	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(NOO){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	102.4947	0.278	8	102.4947	0.077	8	102.4791	0.070	9	104.3404	1.079	159	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCO){3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	104.2140	0.000	1	104.2140	0.000	1	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	104.2780	0.000	1	104.2780	0.000	1	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	103.5681	0.195	8	103.5681	0.038	8	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O)	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]O){3|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	103.2930	0.000	1	103.2930	0.000	1	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHN)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(CHN){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.7870	0.529	2	103.7870	0.280	2	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.4520	0.000	1	103.4520	0.000	1	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(CC[6a]O)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C){1|Si<4>,2|C<3>}	C[5a](C[5a]N[5a]Si)(N[5a]N[5a])(CC[6a]O){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	103.2380	0.000	1	103.2380	0.000	1	103.6396	0.120	15	103.6396	0.120	15	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NCH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NCH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){1|C<4>,2|H<1>,2|N<3>}	105.0020	0.000	1	105.0020	0.000	1	104.9570	0.004	2	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:N-3:	C[5,5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NHH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(NHH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO){1|C<4>,2|H<1>,2|N<3>}	104.9120	0.000	1	104.9120	0.000	1	104.9570	0.004	2	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH){1|N<2>,3|N<3>}	106.0160	0.000	1	106.0160	0.000	1	106.0160	0.000	1	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	105.4060	0.000	1	105.4060	0.000	1	105.4060	0.000	1	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|N<3>}	103.9322	0.176	4	103.9322	0.031	4	103.3898	0.993	10	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NCH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|H<1>,1|N<3>}	101.7380	0.000	1	101.7380	0.000	1	103.3898	0.993	10	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){1|H<1>,1|N<3>}	102.5013	0.293	3	102.5013	0.086	3	103.3898	0.993	10	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|I<1>,1|N<3>}	104.2480	0.000	1	104.2480	0.000	1	103.3898	0.993	10	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN){2|N<3>}	104.6790	0.000	1	104.6790	0.000	1	103.3898	0.993	10	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH){1|C<3>,3|N<3>}	103.9500	0.287	2	103.9500	0.082	2	103.8634	0.478	9	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	103.1047	0.157	3	103.4908	0.613	4	103.8634	0.478	9	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	104.6490	0.000	1	103.4908	0.613	4	103.8634	0.478	9	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	104.1245	0.753	2	104.1245	0.567	2	103.8634	0.478	9	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	104.6590	0.000	1	104.6590	0.000	1	103.8634	0.478	9	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	106.3343	0.366	3	106.3343	0.134	3	106.3343	0.134	3	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	104.7737	0.164	3	104.7737	0.027	3	104.2655	0.345	6	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	103.7573	0.249	3	103.7573	0.062	3	104.2655	0.345	6	104.2773	1.477	33	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	106.3830	0.000	1	106.3830	0.000	1	106.2897	0.084	4	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	105.8720	0.000	1	105.8720	0.000	1	106.2897	0.084	4	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|N<2>,1|N<3>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	106.4520	0.122	2	106.4520	0.015	2	106.2897	0.084	4	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO){1|N<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	104.2350	0.000	1	104.2350	0.000	1	104.2350	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.0560	0.000	1	106.0560	0.000	1	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	106.1370	0.212	3	106.1370	0.045	3	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	105.9790	0.089	3	106.1208	0.086	4	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	106.5460	0.000	1	106.1208	0.086	4	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.1600	0.000	1	106.1600	0.000	1	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	106.3003	0.377	12	106.3003	0.142	12	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	105.8518	0.205	4	105.8518	0.042	4	106.1648	0.111	25	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHS)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHS){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	105.2870	0.000	1	105.2870	0.000	1	105.2870	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NOO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NOO){1|H<1>,1|S<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	104.2110	0.000	1	104.2110	0.000	1	104.2110	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:B[5]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(B[5]O[5]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|O<2>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(B[5]O[5]2){4|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	106.8370	0.000	1	106.8370	0.000	1	106.8370	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CNO){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	105.9407	0.613	6	105.9407	0.376	6	106.2232	0.681	9	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]O){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	106.7883	1.032	3	106.7883	1.065	3	106.2232	0.681	9	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	103.8690	0.000	1	103.8690	0.000	1	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	101.2300	0.000	1	101.2300	0.000	1	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	104.7165	0.009	2	104.7165	0.000	2	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCO){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.6310	0.086	2	104.6310	0.007	2	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	104.8520	0.000	1	104.8520	0.000	1	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	104.9725	0.093	2	104.9725	0.009	2	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	105.0530	0.000	1	105.0530	0.000	1	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	104.9942	0.126	4	104.9942	0.016	4	104.5444	1.008	14	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	104.1525	3.785	2	104.1525	14.327	2	104.1525	14.327	2	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	103.3560	0.000	1	103.3560	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	104.1550	0.000	1	104.1550	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	104.1600	0.000	1	104.1600	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	104.0490	0.000	1	104.0490	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	102.7140	0.000	1	102.7140	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	104.7640	0.444	2	104.7640	0.197	2	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	102.9360	0.000	1	102.9360	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	102.7110	0.213	8	102.7110	0.046	8	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	102.4810	0.000	1	102.4810	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	103.2220	0.000	1	103.2220	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	102.2625	0.308	2	102.2625	0.095	2	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	103.6165	0.265	2	103.6165	0.070	2	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	104.7775	0.065	4	104.7775	0.004	4	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	104.0280	0.000	1	104.0280	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	103.5020	0.000	1	103.5020	0.000	1	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	104.4280	0.000	1	104.9860	0.286	3	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	105.2650	0.325	2	104.9860	0.286	3	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	105.1575	0.904	2	105.1575	0.818	2	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	104.9103	0.340	3	104.9103	0.116	3	103.7970	1.101	36	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|N<3>}	102.6520	0.000	1	102.6520	0.000	1	102.6520	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NOO){1|C<4>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	103.1640	0.000	1	103.1640	0.000	1	103.1640	0.000	1	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:2:4:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-2:Si-4:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NSiN)	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N){1|Si<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NSiN){2|Si<4>}	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3){1|N<2>,1|N<3>}	105.8010	0.165	2	105.8010	0.027	2	105.8010	0.027	2	104.9173	2.052	98	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|N<2>,3|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,2|N<3>}	104.0160	0.000	1	104.0160	0.000	1	103.6920	0.365	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	104.5590	0.000	1	104.5590	0.000	1	103.6920	0.365	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	103.0885	0.036	2	103.0885	0.001	2	103.6920	0.365	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	104.0140	0.000	2	104.0140	0.000	2	103.6920	0.365	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	103.0640	0.000	1	103.0640	0.000	1	103.6920	0.365	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){4|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCO){1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	105.8305	0.342	2	105.8305	0.117	2	105.8305	0.117	2	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N)	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NOO){1|N<2>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	105.6400	0.000	1	105.6400	0.000	1	105.6400	0.000	1	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(COO)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	104.8230	0.351	2	104.8230	0.123	2	104.8384	0.081	5	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CNO)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CNO){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.2090	0.000	1	105.2090	0.000	1	104.8384	0.081	5	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(COO){1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	104.6685	0.077	2	104.6685	0.006	2	104.8384	0.081	5	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	105.7380	0.000	1	105.7380	0.000	1	105.7105	0.002	2	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(NHH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	105.6830	0.000	1	105.6830	0.000	1	105.7105	0.002	2	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.7160	0.000	1	104.7160	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	105.0417	0.069	3	105.0417	0.005	3	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	103.9473	0.095	3	103.9218	0.009	4	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	103.8450	0.000	1	103.9218	0.009	4	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.4150	0.000	1	105.0405	0.783	2	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CNO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.6660	0.000	1	105.0405	0.783	2	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.3310	0.000	1	105.3310	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	105.1130	0.000	1	104.4866	0.130	5	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	104.3300	0.100	4	104.4866	0.130	5	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	104.5370	0.000	1	104.6100	0.087	5	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.6282	0.338	4	104.6100	0.087	5	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	105.5090	0.052	2	105.3157	0.114	3	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(COO){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.9290	0.000	1	105.3157	0.114	3	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.4990	0.260	5	104.4990	0.068	5	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.2460	0.000	1	104.2460	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.1150	0.000	1	104.4590	0.237	2	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.8030	0.000	1	104.4590	0.237	2	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	103.9620	0.000	1	104.1345	0.161	4	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	104.7060	0.000	1	104.1345	0.161	4	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	103.9350	0.219	2	104.1345	0.161	4	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.8040	0.000	1	103.8040	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.0185	0.039	2	104.0185	0.002	2	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Pd<4>,3|C<3>}	C[5a](C[5a]C[5a]Pd)(N[5a]N[5a])(CC[5a]H){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|Pd<4>,2|H<1>,3|C<3>}	104.2330	0.000	1	104.2330	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(COO)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(COO){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	104.7670	0.000	1	104.7670	0.000	1	104.5221	0.254	41	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	103.7350	0.195	3	103.7350	0.038	3	103.7350	0.038	3	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|C<2>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(C[6]C[6]2){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	104.3130	0.000	1	104.3130	0.000	1	104.3130	0.000	1	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	104.5615	0.344	2	104.5615	0.119	2	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	102.1800	0.223	2	102.4573	0.074	10	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	102.7810	0.000	1	102.4573	0.074	10	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	102.7660	0.000	1	102.4573	0.074	10	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	102.4666	0.248	5	102.4573	0.074	10	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	102.3330	0.000	1	102.4573	0.074	10	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	101.8820	0.000	1	101.8820	0.000	1	102.7368	0.746	13	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	104.2380	0.000	1	104.2380	0.000	1	102.4837	0.643	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NOO){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	102.1913	0.230	6	102.1913	0.053	6	102.4837	0.643	7	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]N[5a])(COO)	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C){1|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]N[5a])(COO){1|N<2>,3|C<3>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	106.0240	0.000	1	106.0240	0.000	1	106.0240	0.000	1	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCH){1|O<1>,3|C<3>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.3170	0.000	1	105.3170	0.000	1	105.3170	0.000	1	104.0951	1.187	84	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	107.2920	0.000	1	107.2920	0.000	1	107.2920	0.000	1	104.9887	3.987	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH){1|N<3>,1|P<4>}	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>}	103.8370	0.126	2	103.8370	0.016	2	103.8370	0.016	2	104.9887	3.987	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:3:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(COO)	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(COO){1|C<4>,3|C<3>}	N[5a](C[6]C[6]O[6]H)(C[5a]C[5a]C)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.7460	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	103.3630	0.000	1	103.3630	0.000	1	103.3073	0.828	6	103.3073	0.828	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(CF3){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	102.8727	0.428	4	102.8727	0.183	4	103.3073	0.828	6	103.3073	0.828	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a]H){1|O<2>}	C[5a](C[5a]N[5a]O)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<4>,1|O<2>}	104.9900	0.000	1	104.9900	0.000	1	103.3073	0.828	6	103.3073	0.828	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:B-4:	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3)	N[5a](N[5a]C[5a])2(BC[6a]2O)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]B){1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PO3){1|B<4>}	N[5a](N[5a]C[5a])2(BC[6a]2O){2|P<4>}	104.2703	0.330	4	104.2703	0.109	4	104.2703	0.109	4	103.6362	1.043	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2Pt)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C){1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PC[6a]2Pt){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){2|P<4>}	102.1920	0.000	1	102.1920	0.000	1	102.3680	0.062	2	103.6362	1.043	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C)	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PPtCC)	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]P)(N[5a]N[5a]C){1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a])(PPtCC){1|C<4>}	N[5a](N[5a]C[5a])2(CH3){2|P<4>}	102.5440	0.000	1	102.5440	0.000	1	102.3680	0.062	2	103.6362	1.043	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<4>,1|O<2>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	113.4595	5.819	2	113.4595	33.858	2	110.3633	45.688	3	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,3|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|C<4>}	104.1710	0.000	1	104.1710	0.000	1	110.3633	45.688	3	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCFF){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	106.5537	0.443	6	106.5537	0.196	6	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.7850	0.000	1	106.7850	0.000	1	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	105.2900	0.000	1	105.2900	0.000	1	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|F<1>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	105.9020	0.000	1	105.6035	0.178	2	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	105.3050	0.000	1	105.6035	0.178	2	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	105.6340	0.000	1	105.6340	0.000	1	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	106.5360	0.000	1	106.5360	0.000	1	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.3700	0.193	3	107.3007	0.057	6	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.2313	0.302	3	107.3007	0.057	6	106.5877	0.534	18	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.7975	1.091	19	105.7975	1.189	19	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	106.3200	0.000	1	106.3200	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	104.3445	0.218	2	104.3445	0.048	2	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	104.7226	0.195	5	104.7226	0.038	5	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	105.4826	1.221	30	105.4826	1.490	30	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	104.3350	0.000	1	104.3350	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.8970	0.000	1	104.8970	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.2888	0.206	4	105.2888	0.043	4	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|C<4>}	105.5560	0.000	1	105.5560	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.3875	0.767	8	104.3875	0.588	8	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCF){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.0927	0.533	7	104.0927	0.284	7	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.4340	0.122	3	104.4340	0.015	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.9480	0.000	1	104.9480	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.7170	0.000	1	104.7170	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.5230	0.000	1	105.5230	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.2080	0.000	1	104.2080	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	103.2980	0.047	2	103.2980	0.002	2	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	103.7820	0.000	1	103.5630	0.042	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	103.4535	0.112	2	103.5630	0.042	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.1280	0.000	1	104.1280	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	104.9390	0.000	1	104.9390	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	108.7878	4.507	9	108.7878	20.309	9	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	106.2070	0.000	1	106.2070	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	106.6800	2.301	2	106.1947	3.354	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	105.2240	0.000	1	106.1947	3.354	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	104.2400	0.000	1	104.2400	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	105.2810	0.185	2	105.3387	0.027	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	105.4540	0.000	1	105.3387	0.027	3	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.3990	0.000	1	104.3990	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	105.2990	0.000	1	105.2990	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	105.2620	0.000	1	105.2620	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	105.7375	1.012	2	105.7375	1.024	2	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<4>}	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	108.6340	0.000	1	108.6340	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<3>}	C[5a](C[5a]C[5a]Se)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	105.2250	0.000	1	105.2250	0.000	1	105.4395	3.584	117	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(PO3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	104.3800	0.000	1	104.3800	0.000	1	104.3800	0.000	1	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCCH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	104.6550	0.000	1	104.6550	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	104.2235	0.365	11	104.2235	0.133	11	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	103.8780	0.000	1	103.8780	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	104.2280	0.612	2	104.2280	0.375	2	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	104.2020	0.000	1	104.2020	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.7078	0.256	4	104.7078	0.065	4	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	103.9890	0.000	1	103.9890	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(CFFH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	103.9840	0.000	1	103.9840	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CN[6]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.8450	0.000	1	105.8450	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	104.4015	0.220	2	104.4015	0.048	2	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	104.5090	0.062	2	104.5882	0.093	6	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.6277	0.385	4	104.5882	0.093	6	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	104.4335	0.357	2	104.5903	0.138	3	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	104.9040	0.000	1	104.5903	0.138	3	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	105.3710	0.164	2	105.3710	0.027	2	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|O<1>,1|O<2>}	C[5a](N[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|H<1>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	104.6110	0.000	1	104.6110	0.000	1	104.4799	0.231	37	105.4331	3.750	176	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:Si-4:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3)	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Si){3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(SiC3){1|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|Si<4>,2|H<1>,3|C<3>}	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	104.5420	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C){2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]N[5a])(CH3){1|C<3>,4|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){2|H<1>,3|C<4>}	105.5480	0.000	1	105.5480	0.000	1	105.5480	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	106.3400	0.000	1	106.3400	0.000	1	106.3400	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	105.5760	0.000	1	105.5760	0.000	1	105.5760	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	104.8460	0.096	2	104.8460	0.009	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){2|C<4>}	104.7993	0.138	3	104.7993	0.019	3	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<3>,1|C<4>}	106.1260	0.000	1	106.1260	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,1|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O){2|C<4>}	104.3980	0.000	1	104.3980	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	105.2512	0.393	4	105.2512	0.154	4	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	104.6590	0.000	1	104.6590	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	104.7660	0.000	1	104.7660	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	105.3970	0.000	1	105.0940	0.184	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	104.7910	0.000	1	105.0940	0.184	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	105.0090	0.108	4	105.0090	0.012	4	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	104.6415	0.110	2	104.6415	0.012	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	105.0524	0.662	7	105.0524	0.439	7	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	104.7317	0.352	3	104.7317	0.124	3	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	104.6863	0.314	7	104.6863	0.099	7	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS){1|C<4>,1|H<1>}	104.7720	0.062	2	104.7720	0.004	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C){1|C<4>,1|H<1>}	104.4480	0.455	2	104.4480	0.207	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){1|C<4>,1|H<1>}	106.0540	0.000	1	106.0540	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO){1|Fe<10>,1|H<1>,3|C<4>}	105.2145	0.327	2	105.2145	0.107	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	104.8800	0.222	2	104.8800	0.049	2	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	104.4410	0.000	1	104.4410	0.000	1	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	103.8627	0.364	3	103.8627	0.133	3	104.8555	0.267	51	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	101.7970	0.000	1	101.7970	0.000	1	101.7970	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:P-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP){1|C<4>,1|H<1>}	104.9415	0.373	2	104.9415	0.139	2	104.9415	0.139	2	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCCH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO){1|C<4>,1|N<3>}	104.3137	0.238	3	104.3137	0.056	3	104.5083	0.056	7	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO){1|C<4>,1|N<2>}	104.7120	0.000	1	104.7120	0.000	1	104.5083	0.056	7	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO){1|C<4>,1|N<2>}	104.5340	0.000	1	104.5340	0.000	1	104.5083	0.056	7	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO){1|C<4>,1|N<2>}	104.6400	0.000	1	104.6400	0.000	1	104.5083	0.056	7	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|N<2>}	104.7310	0.000	1	104.7310	0.000	1	104.5083	0.056	7	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	106.3530	0.000	1	106.3530	0.000	1	106.3530	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	104.6540	0.000	1	104.6540	0.000	1	104.6540	0.000	1	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	106.5980	0.000	1	106.5980	0.000	1	105.0760	0.600	6	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	104.7505	0.408	2	104.7716	0.055	5	105.0760	0.600	6	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	104.7700	0.222	2	104.7716	0.055	5	105.0760	0.600	6	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:3:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	104.8170	0.000	1	104.7716	0.055	5	105.0760	0.600	6	104.8582	0.462	72	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	108.5770	0.000	1	108.3300	0.443	4	108.3300	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	108.2477	0.790	3	108.3300	0.443	4	108.3300	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	106.1720	0.000	1	106.1720	0.000	1	105.7558	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	104.8770	0.000	1	104.8770	0.000	1	105.7558	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	105.6160	0.000	1	105.6160	0.000	1	105.7558	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|N<2>,1|S<2>}	C[5a](C[5a,6]C[5a,6]S[6])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,1|S<2>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	106.3580	0.000	1	106.3580	0.000	1	105.7558	0.443	4	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|B<4>,1|F<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	98.2851	0.949	6	98.2851	0.901	6	98.2851	0.901	6	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	107.5045	1.281	2	107.5045	1.640	2	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	106.3455	0.670	2	106.3455	0.448	2	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CF3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	105.6165	0.128	2	105.6165	0.016	2	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	106.4260	0.000	1	106.4260	0.000	1	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	107.3750	0.000	1	107.3750	0.000	1	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CCHH){1|C<4>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	106.8540	0.031	2	106.8540	0.001	2	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<2>,1|S<2>}	C[5a](C[5a,6a]C[5a,6a]S[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	105.8470	0.000	1	105.8470	0.000	1	106.5717	0.712	11	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	105.0840	0.000	1	105.0840	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	106.3080	0.221	3	106.3080	0.049	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	106.2010	0.000	1	106.2010	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	106.2920	0.000	1	106.2920	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	106.9800	0.000	1	106.9800	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	106.2447	0.732	7	106.2447	0.535	7	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]2H){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	106.2987	0.140	3	106.2987	0.020	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	106.4147	0.220	3	106.4147	0.049	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	105.6995	0.644	2	105.6995	0.415	2	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	105.7660	0.000	1	105.7660	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	105.6875	0.238	2	105.6875	0.057	2	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	105.9874	1.441	16	105.9874	2.078	16	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir){1|C<4>,1|H<1>}	105.5205	0.671	2	105.5205	0.450	2	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh){1|C<4>,1|H<1>}	105.3270	0.000	1	105.3270	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	106.4920	0.516	3	106.4920	0.266	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.0263	0.321	3	107.0263	0.103	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	107.2300	0.000	1	107.2300	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	106.7080	0.000	1	106.7080	0.000	1	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|B<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	107.4643	0.267	3	107.4643	0.071	3	106.2350	0.935	55	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<4>,1|N<2>,1|N<3>,1|S<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.1870	0.000	1	105.1870	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	105.6910	0.000	1	105.6910	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	105.4173	0.473	3	105.4173	0.224	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	104.5440	0.000	1	104.5440	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	104.7050	0.286	2	104.7050	0.082	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	103.5860	0.000	1	103.5860	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	104.3493	0.360	3	104.3493	0.130	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.1810	0.409	2	105.1810	0.167	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	104.2130	0.381	3	104.2130	0.145	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.8780	0.000	1	105.8780	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	104.4660	0.000	1	104.4660	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	104.5775	0.022	2	104.5775	0.000	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	105.8730	0.000	1	105.8730	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.1209	0.444	12	105.0626	0.188	14	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	104.7130	0.000	2	105.0626	0.188	14	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,4|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	104.8260	0.000	1	104.8260	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Fe<10>,4|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	105.0020	0.031	2	105.0020	0.001	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|N<3>,2|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.5650	0.000	1	105.5650	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	103.5960	0.000	1	103.5960	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	105.4010	0.330	2	105.4010	0.109	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|C<2>,1|C<4>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.0240	0.000	1	106.0240	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	107.0010	0.000	1	107.0010	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	105.9545	0.115	2	105.8890	0.020	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	105.7580	0.000	1	105.8890	0.020	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	105.8970	0.000	1	105.8970	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	105.2650	0.000	1	105.2650	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	104.8030	0.000	2	104.8030	0.000	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	104.5335	0.115	2	104.5335	0.013	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	105.2270	0.269	2	105.2270	0.072	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	105.7692	0.570	4	105.7692	0.325	4	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	105.0863	0.127	3	105.0863	0.016	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	104.7200	0.016	2	104.7200	0.000	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	107.0330	0.000	1	107.0330	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	105.3920	0.000	1	105.3920	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	103.0075	0.145	2	103.0075	0.021	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	105.4520	0.000	1	105.4520	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	104.7651	0.395	13	104.7651	0.156	13	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	104.9730	0.000	1	104.9730	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	104.4516	0.302	5	104.4516	0.091	5	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	105.0920	0.000	1	105.0920	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	104.5543	0.199	3	104.5543	0.040	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	104.8287	0.640	12	104.8287	0.409	12	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	105.3860	0.000	1	105.3860	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	104.9480	0.235	2	104.9480	0.055	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	105.4040	0.000	1	105.4040	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	103.8587	0.199	3	103.8587	0.039	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	104.8725	0.456	6	104.8725	0.208	6	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	103.8560	0.000	1	103.8560	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	104.1130	0.000	1	104.1130	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	104.5222	0.471	20	104.5222	0.222	20	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	104.5257	0.445	3	104.5257	0.198	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH){1|C<4>,1|H<1>}	104.6690	0.000	1	104.6690	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	105.2760	0.000	1	105.2760	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	104.9120	0.000	1	104.9120	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHN){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	104.9655	0.105	2	104.9655	0.011	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	105.7755	0.658	2	105.7755	0.433	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CFFH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	104.1550	0.000	1	104.1550	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	105.3320	0.000	1	105.3320	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	105.7933	0.255	3	105.7933	0.065	3	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	107.0280	0.000	1	107.0280	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|O<2>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	105.6555	0.186	2	105.6555	0.035	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	105.6830	0.124	2	105.6830	0.015	2	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	105.5340	0.000	1	105.5340	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	106.0100	0.000	1	106.0100	0.000	1	104.9273	0.490	162	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN){1|C<4>,1|H<1>}	105.8280	0.000	1	105.8280	0.000	1	105.0877	0.455	3	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	104.7175	0.295	2	104.7175	0.087	2	105.0877	0.455	3	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO){1|C<4>,1|H<1>}	104.0320	0.000	1	104.0320	0.000	1	104.1605	0.033	2	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|S<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<4>,1|H<1>}	104.2890	0.000	1	104.2890	0.000	1	104.1605	0.033	2	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(CC[5a]HH){1|C<4>,1|O<1>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	105.6343	0.561	3	105.6343	0.315	3	105.6343	0.315	3	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:Si-4:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3){1|C<4>,1|H<1>}	105.7520	0.000	1	105.7520	0.000	1	104.7046	0.212	17	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:Si-4:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3){1|C<4>,1|H<1>}	104.6391	0.385	16	104.6391	0.148	16	104.7046	0.212	17	105.1684	2.159	267	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.3035	0.345	4	105.3035	0.119	4	105.3035	0.119	4	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	104.1060	0.000	1	104.1060	0.000	1	104.1060	0.000	1	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:P-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>}	105.1820	0.255	2	105.1820	0.065	2	105.0080	0.080	7	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:P-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	104.7180	0.000	1	104.7180	0.000	1	105.0080	0.080	7	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:P-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<3>}	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	104.9935	0.298	4	104.9935	0.089	4	105.0080	0.080	7	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,4|C<3>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	106.6140	0.000	1	106.6140	0.000	1	106.6155	0.000	2	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-2:C-4:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	106.6170	0.000	1	106.6170	0.000	1	106.6155	0.000	2	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	106.8250	0.000	1	106.8250	0.000	1	106.8250	0.000	1	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a])(CH3){1|O<2>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	105.6003	0.377	6	105.6003	0.142	6	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	105.5150	0.270	7	105.4096	0.133	10	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	104.6900	0.000	1	105.4096	0.133	10	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	105.4005	0.402	2	105.4096	0.133	10	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|S<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	104.8440	0.000	1	104.8440	0.000	1	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])(CC3){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	106.3375	0.282	2	106.3375	0.080	2	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	105.1860	0.325	5	105.4937	0.124	14	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	105.8490	0.000	1	105.4937	0.124	14	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	105.5731	0.156	7	105.4937	0.124	14	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	106.1210	0.000	1	105.4937	0.124	14	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	106.0720	0.000	1	106.0720	0.000	1	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	105.5990	0.000	1	105.5990	0.000	1	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	105.5935	0.170	2	105.5935	0.029	2	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,2|H<1>,2|N<3>}	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	105.3487	0.298	4	105.3487	0.089	4	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	105.4050	0.000	1	105.1329	0.249	8	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	105.0940	0.526	7	105.1329	0.249	8	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	105.1380	0.000	1	105.5888	0.142	16	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	105.4310	0.299	5	105.5888	0.142	16	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|C<4>,2|C<3>,2|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	105.4800	0.000	1	105.5888	0.142	16	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	105.7387	0.391	9	105.5888	0.142	16	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3)	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CH3){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	105.4720	0.000	1	105.4720	0.000	1	105.4900	0.175	66	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	105.8800	0.000	1	105.8800	0.000	1	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.9460	0.000	1	107.1965	0.126	2	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.4470	0.000	1	107.1965	0.126	2	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.2860	0.000	1	107.3875	0.021	2	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.4890	0.000	1	107.3875	0.021	2	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CC[6a]HH){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.5600	0.000	1	106.5600	0.000	1	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.5347	0.334	3	106.4975	0.080	4	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	106.3860	0.000	1	106.4975	0.080	4	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.7620	0.000	1	108.2027	0.063	7	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	108.4630	0.000	1	108.2027	0.063	7	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	108.2388	0.166	5	108.2027	0.063	7	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.3342	0.471	5	107.2008	0.144	69	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.0410	0.285	15	107.2008	0.144	69	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	107.2546	0.369	48	107.2008	0.144	69	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	106.3510	0.000	1	107.2008	0.144	69	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.3170	0.000	1	106.2502	0.235	6	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	105.5110	0.000	1	106.2502	0.235	6	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|O<1>,1|O<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	106.4183	0.412	4	106.2502	0.235	6	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){1|N<2>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	107.2585	0.384	2	107.2585	0.147	2	107.1691	0.306	94	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8420	0.000	1	104.8420	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>,1|O<2>,1|S<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.9235	0.012	2	105.9235	0.000	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	106.1980	0.000	1	105.6617	0.463	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3935	0.704	2	105.6617	0.463	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3300	0.000	1	105.3300	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	104.1840	0.000	1	104.1840	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.4760	0.000	1	104.4760	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	103.9260	0.000	1	103.9260	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8027	0.378	3	104.8027	0.143	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	104.2830	0.000	1	104.2830	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	105.0890	0.000	1	105.0890	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.1920	0.000	1	105.4363	0.191	14	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.4551	0.449	13	105.4363	0.191	14	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	105.1320	0.000	1	105.1320	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.9760	0.000	1	104.9880	0.189	6	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.9904	0.485	5	104.9880	0.189	6	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	105.8987	0.206	4	105.8987	0.042	4	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	104.9400	0.000	1	104.9400	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3366	0.579	9	105.7671	0.330	106	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.8159	0.556	96	105.7671	0.330	106	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	104.9580	0.000	1	105.7671	0.330	106	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	105.0830	0.394	3	105.0830	0.155	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.4510	0.000	1	105.4510	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.9115	0.412	2	104.9115	0.170	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.1650	0.000	1	105.0345	0.034	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.9040	0.000	1	105.0345	0.034	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3690	0.188	2	105.3740	0.016	4	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CH3){1|N<3>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.3790	0.110	2	105.3740	0.016	4	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.4650	0.000	1	105.4650	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	105.5640	0.000	1	105.5640	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CF3){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	103.7910	0.000	1	103.7910	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.6690	0.000	1	104.6690	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	105.4145	0.252	2	104.8476	0.179	21	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.7859	0.412	17	104.8476	0.179	21	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.8045	0.281	2	104.8476	0.179	21	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.6380	0.000	1	105.6380	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	105.1580	0.624	2	105.1580	0.389	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	105.8680	0.000	1	105.2106	0.248	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	105.0463	0.388	4	105.2106	0.248	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	103.5450	0.000	1	103.5450	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|B<3>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|B<3>,1|C<3>}	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	103.8860	0.000	1	103.8860	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	103.8530	0.220	20	103.8530	0.049	20	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	103.8680	0.243	2	103.8680	0.059	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	105.2502	0.439	4	105.2502	0.193	4	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.6865	0.163	2	104.7830	0.041	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.9760	0.000	1	104.7830	0.041	3	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	105.1930	0.000	1	104.6486	0.112	11	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	104.6603	0.135	3	104.6486	0.112	11	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	104.5659	0.352	7	104.6486	0.112	11	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	103.9390	0.000	1	103.9390	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	104.7802	0.448	6	104.7482	0.164	8	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	104.6525	0.353	2	104.7482	0.164	8	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.6685	0.224	2	104.9094	0.157	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	105.5700	0.000	1	104.9094	0.157	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.8860	0.000	1	104.9094	0.157	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	104.7540	0.000	1	104.9094	0.157	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	105.0110	0.455	3	104.9133	0.092	10	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.8650	0.271	6	104.9133	0.092	10	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.9100	0.000	1	104.9133	0.092	10	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	105.1180	0.000	1	105.1180	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.9484	0.442	5	104.9484	0.195	5	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|C<3>,1|N<2>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	105.4280	0.000	1	105.4280	0.000	1	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	104.8760	0.000	1	105.5550	0.922	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	106.2340	0.000	1	105.5550	0.922	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	104.7640	0.000	1	105.2298	0.111	6	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.3230	0.272	5	105.2298	0.111	6	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.9995	0.131	2	104.9995	0.017	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	105.9465	0.258	4	105.9465	0.067	4	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CH3){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.1650	0.044	2	104.1650	0.002	2	105.2170	0.570	281	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	104.5620	0.000	1	104.3745	0.070	2	104.4573	0.056	3	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	104.1870	0.000	1	104.3745	0.070	2	104.4573	0.056	3	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|P<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	104.6230	0.000	1	104.6230	0.000	1	104.4573	0.056	3	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	104.7660	0.000	1	104.7660	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	105.0530	0.103	2	105.0530	0.011	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.2015	0.166	2	105.2015	0.028	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	103.9300	0.000	1	103.9300	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	103.5600	0.000	1	103.5600	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CF3){1|C<3>,1|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	103.6760	0.000	1	103.6760	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	104.6410	0.607	2	104.6410	0.368	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	105.1915	0.009	2	105.1915	0.000	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	104.5400	0.000	1	104.1315	0.334	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	103.7230	0.000	1	104.1315	0.334	2	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	104.2210	0.000	1	104.2210	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	105.2660	0.000	1	104.7262	0.482	8	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	104.1980	0.000	1	104.7262	0.482	8	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.6252	0.792	5	104.7262	0.482	8	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	105.2200	0.000	1	104.7262	0.482	8	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	104.1200	0.000	1	104.1200	0.000	1	104.6050	0.404	24	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3)	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]B[5a]C[6a])(C[5a]N[5a]C){1|Cl<1>,3|C<3>}	C[5a](N[5a]B[5a]C[6a])(N[5a]N[5a])(CC3){1|Cl<1>,3|C<3>}	N[5a](B[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	107.7670	0.000	1	107.7670	0.000	1	107.7670	0.000	1	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	105.3480	0.000	1	105.1047	0.510	3	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	104.9830	0.964	2	105.1047	0.510	3	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.2760	0.500	3	104.2760	0.250	3	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	104.8745	0.295	2	104.8537	0.045	3	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.8120	0.000	1	104.8537	0.045	3	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	106.2430	0.000	1	106.1140	0.033	2	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[5a]S)(N[5a]N[5a])(CH3){1|C<3>,1|O<1>}	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	105.9850	0.000	1	106.1140	0.033	2	104.9937	0.579	11	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:3:2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>,1|O<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	104.1580	0.000	1	104.1580	0.000	1	104.1580	0.000	1	105.5915	1.083	496	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:4:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:C-4:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	103.9990	0.643	2	103.9990	0.414	2	103.9990	0.414	2	105.3632	1.367	11	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	104.6490	0.000	1	104.6490	0.000	1	104.6490	0.000	1	105.3632	1.367	11	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Si-4:N[5a]-2:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.2410	0.000	1	106.2410	0.000	1	105.7935	1.078	8	105.3632	1.367	11	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Si-4:N[5a]-2:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a]){1|C<4>,1|H<1>}	107.9970	0.000	1	107.9970	0.000	1	105.7935	1.078	8	105.3632	1.367	11	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:4:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:Si-4:N[5a]-2:	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<4>,1|C<4>}	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.3517	0.514	6	105.3517	0.264	6	105.7935	1.078	8	105.3632	1.367	11	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.4267	0.645	3	106.4267	0.416	3	106.3557	0.475	11	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.8510	0.375	2	105.8510	0.140	2	106.3557	0.475	11	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|B<4>,1|H<1>}	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.7463	0.401	3	106.7463	0.161	3	106.3557	0.475	11	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|B<4>,1|H<1>}	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	106.2307	1.101	3	106.2307	1.212	3	106.3557	0.475	11	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.8125	0.053	2	104.8125	0.003	2	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.5580	0.007	2	104.5580	0.000	2	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.0580	0.139	2	105.0580	0.019	2	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.8320	0.342	6	104.8320	0.117	6	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.7615	0.118	2	104.7615	0.014	2	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.9600	0.144	2	104.9600	0.021	2	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	104.0310	0.129	3	104.0310	0.017	3	104.7045	0.144	19	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	105.0675	0.506	2	105.0675	0.256	2	104.6093	0.691	10	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	104.4282	1.206	4	104.4947	0.776	8	104.6093	0.691	10	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	4:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<4>,1|P<4>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	104.5613	0.588	4	104.4947	0.776	8	104.6093	0.691	10	105.1348	0.929	40	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	5:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Cl<1>,1|Si<5>,1|C<4>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<5>,1|C<4>}	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	105.2060	0.000	2	105.2060	0.000	2	105.8483	0.324	6	105.8483	0.324	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	5:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-2:C-4:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Si<5>,1|C<4>,1|H<1>,3|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|Si<5>,1|C<4>}	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	106.1695	0.357	4	106.1695	0.128	4	105.8483	0.324	6	105.8483	0.324	6	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	104.0080	0.134	2	104.0080	0.018	2	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	104.1810	0.000	1	104.1810	0.000	1	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	103.7530	0.000	1	103.7530	0.000	1	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	104.3770	0.000	1	104.3770	0.000	1	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	103.8720	0.000	1	103.9725	0.020	2	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H)	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]H){1|N<2>,2|N<3>}	C[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){2|H<1>,2|N<2>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|N<3>}	104.0730	0.000	1	103.9725	0.020	2	104.0389	0.044	7	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	103.7460	0.000	1	103.7460	0.000	1	104.2128	0.398	5	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a])2(H){2|C<3>}	104.8105	0.357	2	104.8105	0.128	2	104.2128	0.398	5	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	103.4830	0.000	1	103.4830	0.000	1	104.2128	0.398	5	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|H<1>}	104.2140	0.000	1	104.2140	0.000	1	104.2128	0.398	5	104.1113	0.177	12	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a])2(CCO){2|C<3>}	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	104.0620	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	103.5867	0.129	4	103.5867	0.017	4	103.5867	0.017	4	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	104.2338	0.365	4	104.2338	0.133	4	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|Br<1>,2|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a])2(CHHN){1|Br<1>,1|C<3>}	104.3110	0.000	1	104.3110	0.000	1	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|C<2>,2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6]HH){1|C<2>,1|C<3>}	104.5760	0.000	1	104.5760	0.000	1	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]HH){2|C<3>}	104.1400	0.385	2	104.1400	0.148	2	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){3|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CH3){2|C<3>}	104.1070	0.000	1	104.1070	0.000	1	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CCHH){1|C<3>,1|H<1>}	103.4960	0.143	2	103.4960	0.020	2	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CCHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CCHN){1|C<3>,1|H<1>}	102.8210	0.000	1	102.8210	0.000	1	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CC[6a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CC[6a]CH){1|C<3>,1|H<1>}	103.8226	0.412	5	103.8226	0.169	5	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CHHN)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CHHN){1|C<3>,1|H<1>}	104.6515	0.176	4	104.6515	0.031	4	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C){1|N<3>,2|C<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a])2(CH3){1|C<3>,1|N<3>}	104.2340	0.000	1	104.2340	0.000	1	104.0898	0.270	22	104.0124	0.263	26	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,5|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	104.5550	0.000	1	106.0060	4.211	2	105.4507	1.821	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){4|C<3>}	107.4570	0.000	1	106.0060	4.211	2	105.4507	1.821	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	104.8955	0.138	2	104.8955	0.019	2	105.4507	1.821	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	105.7650	0.000	1	105.7650	0.000	1	105.7650	0.000	1	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	107.0795	0.243	2	106.9322	0.066	4	106.8766	0.065	5	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	106.9480	0.000	1	106.9322	0.066	4	106.8766	0.065	5	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	106.6220	0.000	1	106.9322	0.066	4	106.8766	0.065	5	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	106.6540	0.000	1	106.6540	0.000	1	106.8766	0.065	5	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	103.9390	0.000	1	103.9390	0.000	1	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	105.6250	0.000	1	105.6250	0.000	1	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.2025	0.293	2	104.2025	0.086	2	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.3753	1.099	3	105.3753	1.207	3	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.1200	0.000	1	104.1200	0.000	1	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.1127	0.261	3	105.1127	0.068	3	104.8685	0.647	11	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<2>,2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.3280	0.000	1	105.3280	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.3060	0.000	1	104.6903	0.721	3	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.3825	0.934	2	104.6903	0.721	3	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	106.6475	1.518	2	106.6475	2.305	2	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	106.0238	0.120	4	105.6968	0.329	6	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	105.0430	0.567	2	105.6968	0.329	6	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	104.8140	0.000	1	104.8140	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){4|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	103.7120	0.000	1	103.7120	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.9967	0.134	3	105.1392	0.765	9	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.5703	0.157	4	105.1392	0.765	9	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.7830	0.000	1	105.1392	0.765	9	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	107.1990	0.000	1	105.1392	0.765	9	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	104.9360	0.000	1	105.3170	0.672	30	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	105.4335	0.240	2	105.3170	0.672	30	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.0974	0.326	10	105.3170	0.672	30	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	104.8445	0.446	8	105.3170	0.672	30	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.9976	1.144	9	105.3170	0.672	30	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.4463	0.332	3	105.2773	0.646	26	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.1500	0.313	6	105.2773	0.646	26	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.6930	0.000	1	105.2773	0.646	26	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.5483	0.917	15	105.2773	0.646	26	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.0520	0.000	1	105.2773	0.646	26	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	104.7440	0.000	1	104.7440	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	106.1700	1.377	2	106.1700	1.897	2	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	106.3457	0.752	3	106.3457	0.566	3	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|S<4>}	104.8035	0.450	2	104.8035	0.203	2	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	105.3670	0.000	1	105.3670	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|Se<2>,3|C<3>}	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,3|C<3>}	105.6220	0.000	1	105.6220	0.000	1	105.3381	0.735	89	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	103.8324	0.299	5	103.8324	0.090	5	103.8850	0.088	6	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	104.1480	0.000	1	104.1480	0.000	1	103.8850	0.088	6	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	104.8230	0.000	1	104.8230	0.000	1	104.9737	0.300	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	105.0140	0.000	1	105.0140	0.000	1	104.9737	0.300	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	104.3700	0.000	1	105.0290	0.869	2	104.9737	0.300	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.6880	0.000	1	105.0290	0.869	2	104.9737	0.300	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	B[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]H){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](B[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	105.0420	0.000	1	105.0420	0.000	1	105.0420	0.000	1	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	105.2580	0.000	1	104.5020	0.315	4	104.7008	0.304	6	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]C)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.2500	0.302	3	104.5020	0.315	4	104.7008	0.304	6	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]C[5a]N)(N[5a]N[5a]){1|O<1>,2|C<3>,3|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	105.0985	0.319	2	105.0985	0.102	2	104.7008	0.304	6	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5,5a]-3:C[6a]-3:N[5a]-2:	C[5,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H)	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a](N[5,5a]C[5,5a]N[5])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	106.5770	0.000	1	106.5770	0.000	1	106.5770	0.000	1	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<4>}	C[5a](N[5]C[5,5,6]S[5])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,2|O<1>,4|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	103.2610	0.226	2	103.2610	0.051	2	103.2610	0.051	2	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	106.6233	0.540	3	106.6233	0.292	3	106.6465	0.197	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){1|C<3>,3|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	106.7160	0.000	1	106.7160	0.000	1	106.6465	0.197	4	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	102.8710	0.007	2	102.8275	0.028	4	102.9693	0.120	7	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	102.7840	0.276	2	102.8275	0.028	4	102.9693	0.120	7	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	103.7040	0.000	1	103.7040	0.000	1	102.9693	0.120	7	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	102.8855	0.016	2	102.8855	0.000	2	102.9693	0.120	7	105.1597	1.165	141	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	104.3250	0.000	1	104.3250	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	103.7630	0.000	1	103.7630	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	103.9540	0.000	1	103.9540	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{1|H<1>,5|C<3>}	103.6750	0.000	1	103.6750	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|C<2>,4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<2>,2|H<1>,3|C<3>}	104.5400	0.000	1	104.2057	0.104	10	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){5|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	104.1686	0.319	9	104.2057	0.104	10	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	103.8200	0.000	1	103.8200	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[5a])2{2|H<1>,4|C<3>}	103.8983	0.532	8	103.8983	0.283	8	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.9000	0.000	1	103.9000	0.000	1	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{2|H<1>,3|C<3>}	103.6890	0.057	2	103.6890	0.003	2	104.0022	0.157	26	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<2>,1|N<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{2|H<1>,4|C<3>}	103.7050	0.000	1	103.7050	0.000	1	103.4800	0.126	3	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|N<3>,2|C<3>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[6a]C[6a]N[6a])(N[5a]C[5a])2{1|H<1>,4|C<3>}	103.6650	0.000	1	103.6650	0.000	1	103.4800	0.126	3	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{3|C<3>,3|H<1>}	103.0700	0.000	1	103.0700	0.000	1	103.4800	0.126	3	103.9482	0.176	29	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	103.2850	0.344	2	103.2850	0.118	2	103.2850	0.118	2	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	105.7000	0.000	1	105.7000	0.000	1	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	104.3890	0.000	1	104.3890	0.000	1	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC){1|H<1>,3|C<3>}	105.2515	0.209	2	105.2515	0.044	2	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|H<1>,3|C<3>}	104.9608	0.118	4	104.9608	0.014	4	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	105.1705	0.375	2	105.1705	0.141	2	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|H<1>}	104.5750	0.000	1	104.5750	0.000	1	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	105.0092	0.203	6	105.0092	0.041	6	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH){1|C<3>,1|H<1>}	104.4090	0.000	1	104.4090	0.000	1	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|I<1>,3|C<3>}	105.7300	0.000	1	105.7300	0.000	1	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	105.2990	0.054	3	105.2990	0.003	3	105.0655	0.130	22	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	106.6390	0.000	1	106.6390	0.000	1	106.6390	0.000	1	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H){1|C<3>,1|C<4>}	104.7520	0.000	1	104.7520	0.000	1	104.7520	0.000	1	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	104.0980	0.000	1	104.0980	0.000	1	104.0980	0.000	1	104.9445	0.473	27	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	106.8120	0.000	1	106.8120	0.000	1	106.8120	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	104.9100	0.000	1	104.9100	0.000	1	105.1460	0.658	3	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	104.4790	0.000	1	104.4790	0.000	1	105.1460	0.658	3	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	106.0490	0.000	1	106.0490	0.000	1	105.1460	0.658	3	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|S<4>,3|C<3>,4|H<1>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	106.1150	0.000	1	106.1150	0.000	1	106.1150	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]O[5a])(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	106.8390	0.000	1	106.8390	0.000	1	106.8390	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|F<1>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	109.2632	0.432	8	109.0266	0.394	10	109.0266	0.394	10	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,3|F<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	108.0800	0.025	2	109.0266	0.394	10	109.0266	0.394	10	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	106.7030	0.000	1	106.7030	0.000	1	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	106.6315	0.969	2	106.6315	0.940	2	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	107.4100	0.000	1	107.4100	0.000	1	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	107.3700	0.000	1	107.1795	0.054	4	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	106.9120	0.000	1	107.1795	0.054	4	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	107.2180	0.225	2	107.1795	0.054	4	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	106.7220	0.000	1	106.7220	0.000	1	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<3>,3|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	105.6820	1.092	2	105.6820	1.192	2	106.7436	0.578	11	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	104.3770	0.045	2	104.3770	0.002	2	104.2801	0.037	7	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.4315	0.217	2	104.4315	0.047	2	104.2801	0.037	7	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	104.1147	0.114	3	104.1147	0.013	3	104.2801	0.037	7	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	103.2740	0.000	1	103.2740	0.000	1	103.2740	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|Os<7>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Os)(C[6]C[6]N[6])(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	102.6430	0.000	1	102.6430	0.000	1	102.6430	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	108.0850	0.000	1	108.0850	0.000	1	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	106.6503	0.592	3	106.6503	0.351	3	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	106.2820	0.000	1	106.2820	0.000	1	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	105.7814	0.274	7	105.7814	0.075	7	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<4>,1|H<1>,1|P<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	106.4986	0.555	9	106.6832	0.365	12	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	107.2370	0.402	3	106.6832	0.365	12	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	105.3610	0.204	3	105.4616	0.149	9	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	105.5118	0.461	6	105.4616	0.149	9	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	106.1082	0.650	4	106.1082	0.422	4	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	105.6695	0.685	2	105.6695	0.469	2	106.1516	0.571	39	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	105.0500	0.000	1	105.0500	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	104.3060	0.532	2	104.3060	0.283	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	106.6513	2.548	3	106.6513	6.494	3	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3){2|C<3>}	104.9540	0.000	1	104.9540	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	106.3400	0.297	6	106.3400	0.088	6	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	104.7445	0.085	4	105.2753	0.254	10	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	105.6292	0.278	6	105.2753	0.254	10	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	105.5954	0.252	16	105.5954	0.064	16	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	104.2260	0.000	1	104.2260	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	104.3343	0.415	3	104.3343	0.172	3	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	104.7650	0.000	1	104.7650	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	105.3160	0.064	2	105.3160	0.004	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	105.8750	0.000	1	105.8750	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	104.9940	0.000	1	104.9940	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	105.0460	0.252	3	105.0460	0.064	3	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	105.1750	0.000	1	105.0385	0.037	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	104.9020	0.000	1	105.0385	0.037	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	105.0970	0.476	5	105.0970	0.227	5	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	105.0010	0.088	2	105.0010	0.008	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	105.4360	0.000	1	104.9330	0.506	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	104.4300	0.000	1	104.9330	0.506	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	104.2040	0.000	1	104.2040	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	105.7910	0.000	1	105.7910	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	105.0540	0.236	2	105.0540	0.056	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	104.5220	0.000	1	104.5220	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	104.5876	0.341	5	104.5876	0.116	5	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	104.2490	0.122	3	104.2490	0.015	3	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	104.6650	0.110	2	104.6650	0.012	2	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	105.2890	0.000	1	105.2890	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	105.2740	0.000	1	105.2740	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	106.0570	0.000	1	106.0570	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	106.0440	0.000	1	106.0440	0.000	1	105.2501	0.630	81	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|C<4>}	104.0430	0.000	1	104.0430	0.000	1	104.3055	0.312	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	105.0820	0.000	1	105.0820	0.000	1	104.3055	0.312	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	104.3060	0.000	1	104.3060	0.000	1	104.3055	0.312	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	103.7910	0.000	1	103.7910	0.000	1	104.3055	0.312	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	103.8950	0.000	1	103.8950	0.000	1	103.8950	0.000	1	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	106.2690	0.407	2	106.2690	0.166	2	106.1702	0.147	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	106.0715	0.486	2	106.0715	0.236	2	106.1702	0.147	4	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	104.5725	0.234	2	104.5725	0.055	2	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	104.4255	0.049	2	104.4255	0.002	2	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	104.7675	0.125	2	104.7675	0.016	2	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	104.4440	0.351	6	104.4440	0.123	6	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	104.5851	0.377	20	104.5851	0.142	20	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]I)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	104.5650	0.000	1	104.5650	0.000	1	104.5595	0.113	33	105.5402	1.613	198	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a,5a]C[5a,5a]C[5a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.8610	0.260	2	105.8610	0.068	2	105.8610	0.068	2	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a,6]C[5a,6]C[5,6])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,7|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	105.1830	0.000	1	105.1830	0.000	1	105.6204	0.100	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	105.5120	0.000	1	105.7640	0.074	3	105.6204	0.100	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6,6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	105.8900	0.229	2	105.7640	0.074	3	105.6204	0.100	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,3|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	105.6270	0.000	1	105.6270	0.000	1	105.6204	0.100	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){6|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	107.2990	0.000	1	107.2990	0.000	1	107.4170	0.095	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	107.2260	0.000	1	107.2260	0.000	1	107.4170	0.095	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	107.8310	0.000	1	107.5200	0.150	3	107.4170	0.095	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	107.6420	0.000	1	107.5200	0.150	3	107.4170	0.095	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|N<2>,3|C<3>,3|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	107.0870	0.000	1	107.5200	0.150	3	107.4170	0.095	5	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	104.6185	0.303	2	104.6185	0.092	2	104.6835	0.228	4	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	105.2850	0.000	1	105.2850	0.000	1	104.6835	0.228	4	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	104.2120	0.000	1	104.2120	0.000	1	104.6835	0.228	4	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.2790	0.000	1	105.2790	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.1720	0.238	5	105.1720	0.057	5	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.1190	0.000	1	105.1190	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	105.7710	0.000	1	105.2513	0.288	22	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8800	0.075	2	105.2513	0.288	22	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	105.7670	0.065	2	105.2513	0.288	22	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	106.9600	0.000	1	105.2513	0.288	22	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.0939	0.331	16	105.2513	0.288	22	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	105.3850	0.115	3	105.3850	0.013	3	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|O<2>,5|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.1660	0.520	6	105.1660	0.271	6	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8361	0.424	9	104.8295	0.148	12	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.8097	0.309	3	104.8295	0.148	12	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){4|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.6490	0.000	1	104.6490	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.2910	0.000	1	104.2910	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.2100	0.611	5	105.2100	0.373	5	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.2630	0.000	1	105.2630	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	103.5240	0.000	1	104.1470	0.207	4	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.3547	0.229	3	104.1470	0.207	4	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.9400	0.000	1	104.9400	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.6230	0.068	3	104.7935	0.119	4	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.3050	0.000	1	104.7935	0.119	4	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.6693	0.202	3	104.9578	0.176	21	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	104.4220	0.000	1	104.9578	0.176	21	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.8638	0.305	17	104.9578	0.176	21	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	104.8540	0.617	3	104.8540	0.381	3	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.8780	0.000	1	104.8780	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.0635	0.588	2	105.0635	0.345	2	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	103.6380	0.000	1	103.7435	0.022	2	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.8490	0.000	1	103.7435	0.022	2	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.2200	0.815	2	105.2200	0.664	2	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	103.9740	0.000	1	103.9740	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|S<4>,5|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	105.9700	0.000	1	105.9700	0.000	1	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	105.1820	0.279	2	105.1820	0.078	2	104.9977	0.289	102	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:P-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.7990	0.283	2	104.7990	0.080	2	104.6342	0.243	6	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	104.3370	0.000	1	104.3370	0.000	1	104.6342	0.243	6	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	105.4050	0.000	1	105.4050	0.000	1	104.6342	0.243	6	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.4290	0.000	1	104.4290	0.000	1	104.6342	0.243	6	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	104.0360	0.000	1	104.0360	0.000	1	104.6342	0.243	6	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.5763	0.161	3	104.5763	0.026	3	104.6043	0.020	4	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	104.6880	0.000	1	104.6880	0.000	1	104.6043	0.020	4	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]B[5a]H)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](B[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	105.9290	0.000	1	105.9290	0.000	1	105.3739	0.093	7	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|N<2>,5|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]C[6a])(N[5a]N[5a]){1|H<1>,6|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	105.4860	0.000	1	105.4860	0.000	1	105.3739	0.093	7	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	B[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a])	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a])	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]B[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]B[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](B[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	105.2404	0.192	5	105.2404	0.037	5	105.3739	0.093	7	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	B[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a])	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a,6a]C[6a])(N[5a]B[5a,6a]C[6a]){1|B<4>,1|N<3>,4|C<3>}	C[5a](N[5a,6a]B[5a,6a]B[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>,4|N<3>}	N[5a](B[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|B<3>,1|B<4>,2|H<1>,4|C<3>}	105.8880	0.000	1	105.8880	0.000	1	105.8880	0.000	1	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	103.4880	0.000	1	103.4880	0.000	1	103.4880	0.000	1	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.7620	0.000	1	104.7620	0.000	1	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.8745	0.011	2	104.8745	0.000	2	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5])(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C[5])(N[5a]N[5a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	104.3917	0.221	3	104.3917	0.049	3	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	103.3600	0.659	2	103.3600	0.434	2	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.0510	0.155	3	105.0510	0.024	3	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){2|O<2>,4|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	105.3150	0.000	1	105.3150	0.000	1	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|O<2>,1|S<2>,4|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	104.2750	0.000	1	104.2750	0.000	1	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	104.4410	0.325	3	104.4410	0.106	3	104.5295	0.360	16	105.0419	0.522	154	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-4:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	104.3440	0.102	2	104.3440	0.010	2	104.6767	0.220	4	104.6767	0.220	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:4:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:C-4:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	105.0095	0.456	2	105.0095	0.208	2	104.6767	0.220	4	104.6767	0.220	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5,5]C[5]H)(N[5a]C[5a])2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	103.5690	0.000	1	103.5690	0.000	1	103.6460	0.012	2	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5]C[5]N[5]H)(N[5a]C[5a])2{1|C<4>,2|C<3>,4|H<1>}	103.7230	0.000	1	103.7230	0.000	1	103.6460	0.012	2	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[5,6]C[6]H)(N[5a]C[5a])2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.8617	0.748	3	104.8617	0.559	3	104.6550	0.544	4	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[6]-4:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[6]C[6]2H)(N[5a]C[5a])2	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[6]C[6]2H)(N[5a]C[5a])2{1|C<4>,2|C<3>,5|H<1>}	104.0350	0.000	1	104.0350	0.000	1	104.6550	0.544	4	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	103.8450	0.000	1	104.0435	0.079	2	104.0435	0.079	2	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5,5]-4:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2	N[5a](N[5a]C[5,5]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5,5]C[5,5]C[5]2)(N[5a]C[5a])2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	104.2420	0.000	1	104.0435	0.079	2	104.0435	0.079	2	104.2499	0.456	8	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6]){2|C<3>,2|N<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	105.3840	0.048	2	105.3840	0.002	2	105.3840	0.002	2	105.0420	0.338	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	105.0185	0.312	2	105.0185	0.097	2	104.6598	0.109	6	105.0420	0.338	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	104.4545	0.247	2	104.4545	0.061	2	104.6598	0.109	6	105.0420	0.338	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	104.5065	0.018	2	104.5065	0.000	2	104.6598	0.109	6	105.0420	0.338	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6])	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,1|P<4>,2|C<3>,2|H<1>}	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	105.8465	0.303	2	105.8465	0.092	2	105.8465	0.092	2	105.0420	0.338	10	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:4:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]2H)(N[5a]N[5a]){1|N<2>,2|C<3>,2|C<4>,5|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	107.2360	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:4:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[5]-4:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5]){2|C<3>,2|H<1>,2|N<3>}	C[5a](C[5a]N[5a]H)(C[5]N[5]2H)(N[5a]N[5a]){1|C<3>,4|C<4>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	103.9620	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	3:4:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[5,6]2H)(N[5a]N[5a]){2|C<4>,3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	106.4075	0.071	2	106.4075	0.005	2	106.4075	0.005	2	106.4075	0.005	2	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	2:2:1:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H){1|Fe<10>,1|C<3>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,3|H<1>}	N[5a](N[5a]C[5a])2(H){1|C<3>,1|C<4>}	103.9890	0.000	1	103.9890	0.000	1	103.9890	0.000	1	103.9890	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	2:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-2:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a])2(CCHH)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	N[5a](N[5a]C[5a])2(CCHH){1|C<4>,1|H<1>}	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	103.7840	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a])	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5]C[5,6a]O[5]H)(C[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|P<4>,5|C<3>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	104.6890	0.000	1	104.6890	0.000	1	104.9728	0.516	4	104.9728	0.516	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	105.0673	0.849	3	105.0673	0.721	3	104.9728	0.516	4	104.9728	0.516	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:2:	N[5a]-3:C[5a]-3:	C[6]-4:C[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-2:N[5a]-2:	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2	N[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6]H)(C[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](C[6a]C[6a]2)(N[5a]C[5a])2{1|C<4>,2|C<3>,3|H<1>}	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	103.7180	0.000	1	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	104.2870	0.283	3	104.2870	0.080	3	104.4191	0.288	7	104.4191	0.288	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:3:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	104.5182	0.701	4	104.5182	0.492	4	104.4191	0.288	7	104.4191	0.288	7	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	103.9640	0.812	2	103.9640	0.659	2	103.9640	0.659	2	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[3x6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B)	C[5a](C[3x6]C[6,6]3)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B){1|H<1>,4|C<4>}	C[5a](C[3x6]C[6,6]3)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,4|C<4>,6|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	107.2560	0.243	3	107.2560	0.059	3	107.2560	0.059	3	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	106.8980	0.000	1	106.8980	0.000	1	106.4483	0.130	11	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	106.5030	0.227	6	106.5030	0.051	6	106.4483	0.130	11	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:B-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	106.2537	0.472	4	106.2537	0.223	4	106.4483	0.130	11	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	105.8030	0.000	1	105.8030	0.000	1	104.9377	0.562	3	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	104.4820	0.000	1	104.4820	0.000	1	104.9377	0.562	3	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	104.5280	0.000	1	104.5280	0.000	1	104.9377	0.562	3	106.0758	1.206	19	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	B[5,5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a])	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[5a](B[5,5]N[5,5]O[5]2)(C[5a]C[5a]H)(N[5a]N[5a]){3|C<3>,4|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	104.6380	0.000	1	104.6380	0.000	1	104.6380	0.000	1	104.5915	0.020	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	3:3:2:	N[5a]-3:C[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	104.5760	0.169	3	104.5760	0.029	3	104.5760	0.029	3	104.5915	0.020	4	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP2	N[5a]	C[5a]	N[5a]	3:3:	4:3:2:	4:3:2:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-2:	B-4:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|B<4>,2|C<4>,3|H<1>}	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	105.7737	1.080	3	105.7737	1.167	3	105.7737	1.167	3	105.7737	1.167	3	104.3408	3.149	3962	104.1325	3.330	4764
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:2:1:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|N<3>,1|S<4>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	104.0270	0.000	1	105.0417	1.510	7	105.0417	1.510	7
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:2:2:	3:2:1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-2:O-2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(OH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(OH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	107.5100	0.000	1	105.0417	1.510	7	105.0417	1.510	7
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:2:4:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	104.4580	0.412	2	104.4580	0.169	2	104.4580	0.169	2	104.4580	0.169	2	105.0417	1.510	7	105.0417	1.510	7
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	104.1420	0.000	1	104.1420	0.000	1	104.8515	1.007	2	104.8515	1.007	2	105.0417	1.510	7	105.0417	1.510	7
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:2:4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|S<2>}	105.5610	0.000	1	105.5610	0.000	1	104.8515	1.007	2	104.8515	1.007	2	105.0417	1.510	7	105.0417	1.510	7
519	727	813	5:SP2_SP2_SP3	N[5a]	C[5a]	N[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:P-3:N[5a]-2:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	105.1360	0.000	1	105.0417	1.510	7	105.0417	1.510	7