909	643	941	0:SP2_SP2_SP2	S	C[6a]	N	3:2:	3:3:2:	2:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:	S(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(SC[6a])(SO)	S(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(SC[6a])(SO)	99.7584	0.000	1	99.7584	0.000	1	99.7584	0.000	1	99.7584	0.000	1	98.5819	2.085	9	98.5819	2.085	9
909	643	941	0:SP2_SP2_SP2	S	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C-3:S-2:	S(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(CC[6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(CC[6a]2)(SC[6a])	97.4665	0.858	4	97.4665	0.735	4	97.4665	0.735	4	98.4349	2.160	8	98.5819	2.085	9	98.5819	2.085	9
909	643	941	0:SP2_SP2_SP2	S	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[5]-3:S-2:	S(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(C[5]C[5,6a]2)(SC[6a])	S(C[6a]C[6a]2)(NC[5])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(C[5]C[5,6a]2)(SC[6a])	99.0396	1.603	2	99.0396	2.569	2	99.0396	2.569	2	98.4349	2.160	8	98.5819	2.085	9	98.5819	2.085	9
909	643	941	0:SP2_SP2_SP2	S	C[6a]	N	3:2:	3:3:2:	3:2:	C[6a]-3:N-2:	C[6a]-3:C[6a]-3:S-2:	C[6]-3:S-2:	S(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(SN)	N(C[6]C[6]O[6])(SC[6a])	S(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6])(SC[6a])	99.7668	1.522	2	99.7668	2.316	2	99.7668	2.316	2	98.4349	2.160	8	98.5819	2.085	9	98.5819	2.085	9
909	643	945	0:SP2_SP2_SP3	S	C[6a]	P	3:3:	3:3:2:	5:2:4:	P-3:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[3x3,4,3x5,14x6]-5:S-2:C-4:	S(PC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SP)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[6a])(CC3)	S(PC[3x3,4,3x5,14x6]C)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[6a])(CC3)	100.9250	0.921	2	100.9250	0.848	2	100.9250	0.848	2	100.9250	0.848	2	100.9250	0.848	2	100.9250	0.848	2
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	2:3:2:	2:	C[6a]-3:H-1:	N[6a]-2:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH)	H(SC[6a])	S(C[6a]C[6a]N[6a])(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]C)(SH){1|H<1>,2|C<3>}	H(SC[6a])	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	109.4440	0.000	1	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(SH){7|C<3>}	H(SC[6a])	95.3723	0.000	1	95.3723	0.000	1	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SH){1|C<3>,1|C<4>,1|H<1>}	H(SC[6a])	92.8401	0.000	1	97.8543	48.712	9	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SH){1|C<3>,2|H<1>}	H(SC[6a])	98.4811	7.185	8	97.8543	48.712	9	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(SH){1|C<3>,2|H<1>}	H(SC[6a])	96.1459	3.552	2	96.1459	12.619	2	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(SH){1|C<3>,2|H<1>}	H(SC[6a])	102.7830	0.000	1	102.7830	0.000	1	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]2)(SH){2|H<1>,3|C<3>}	H(SC[6a])	100.3024	7.571	2	100.3024	57.321	2	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(SH){1|C<3>,1|F<1>,1|H<1>}	H(SC[6a])	94.1201	0.000	1	94.1201	0.000	1	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(SH){1|C<3>,2|H<1>}	H(SC[6a])	95.6386	0.758	2	95.6386	0.574	2	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(SH){1|S<2>,2|C<3>}	H(SC[6a])	109.4786	0.034	8	109.4786	0.001	8	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SH){1|C<3>,2|H<1>}	H(SC[6a])	97.7031	6.862	13	97.7031	47.088	13	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SH){1|C<3>,1|C<4>,1|H<1>}	H(SC[6a])	97.2534	2.328	3	97.2140	3.620	4	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SH){1|C<3>,2|H<1>}	H(SC[6a])	97.0959	0.000	1	97.2140	3.620	4	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH){1|C<3>,1|C<4>,1|H<1>}	H(SC[6a])	109.4990	0.000	1	114.0166	153.029	15	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH){1|C<3>,2|H<1>}	H(SC[6a])	121.1117	14.864	7	114.0166	153.029	15	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH){1|H<1>,2|C<3>}	H(SC[6a])	96.1253	0.000	1	114.0166	153.029	15	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(SH){1|S<2>,2|C<3>}	H(SC[6a])	109.4738	0.026	6	114.0166	153.029	15	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]P[5])(C[6a]C[6a]H)(SH){1|C<4>,2|H<1>,3|C<3>}	H(SC[6a])	94.0163	0.000	1	94.0163	0.000	1	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]P)(SH){1|C<3>,2|H<1>}	H(SC[6a])	94.2216	2.267	3	94.2216	5.141	3	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	951	0:SP2_SP-NON_SP2	S	C[6a]	H	3:1:	3:3:2:	2:	C[6a]-3:H-1:	C[6a]-3:C[6a]-3:S-2:	S-2:	S(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)2(SH)	H(SC[6a])	S(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)2(SH){1|C<3>}	H(SC[6a])	100.7340	0.000	1	100.7340	0.000	1	102.8512	108.897	63	102.8512	108.897	63	102.9543	107.848	64	102.9543	107.848	64
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	2:1:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	S-2:O-1:O-1:O-1:	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SS)	S(SC[6a])(O)3	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(SS){1|C<3>,1|F<1>,1|H<1>}	S(SC[6a])(O)3	101.1800	0.000	1	101.1800	0.000	1	99.9055	0.611	7	99.9055	0.611	7	100.1742	1.446	10	100.1742	1.446	10
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	2:1:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	S-2:O-1:O-1:O-1:	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	S(SC[6a])(O)3	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,1|H<1>,1|N<3>}	S(SC[6a])(O)3	99.5302	0.577	4	99.7234	0.436	5	99.9055	0.611	7	99.9055	0.611	7	100.1742	1.446	10	100.1742	1.446	10
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	2:1:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	S-2:O-1:O-1:O-1:	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS)	S(SC[6a])(O)3	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SS){1|C<3>,1|H<1>,1|N<4>}	S(SC[6a])(O)3	100.4960	0.000	1	99.7234	0.436	5	99.9055	0.611	7	99.9055	0.611	7	100.1742	1.446	10	100.1742	1.446	10
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	2:1:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	S-2:O-1:O-1:O-1:	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(SS)	S(SC[6a])(O)3	S(C[6a]C[6a]2)(SO3)	C[6a](C[6a]C[6a]H)2(SS){1|C<3>,2|H<1>}	S(SC[6a])(O)3	99.5416	0.000	1	99.5416	0.000	1	99.9055	0.611	7	99.9055	0.611	7	100.1742	1.446	10	100.1742	1.446	10
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-2:O-1:O-1:	S(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SS)	S(C[6a]C[6a]2)(SC[6a])(O)2	S(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(SS){1|C<4>,1|H<1>,3|C<3>}	S(C[6a]C[6a]2)(SC[6a])(O)2	102.9050	0.000	1	102.9050	0.000	1	100.8010	3.833	3	100.8010	3.833	3	100.1742	1.446	10	100.1742	1.446	10
909	643	952	0:SP2_SP2_SP3	S	C[6a]	S	3:4:	3:3:2:	3:2:1:1:	C[6a]-3:S-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-2:O-1:O-1:	S(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(SS)	S(C[6a]C[6a]2)(SC[6a])(O)2	S(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(SS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(SC[6a])(O)2	99.7491	1.013	2	99.7491	1.025	2	100.8010	3.833	3	100.8010	3.833	3	100.1742	1.446	10	100.1742	1.446	10
909	643	955	0:SP2_SP2_SP3	S	C[6a]	P[5]	4:3:	3:3:2:	2:2:2:1:	P[5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	O[5]-2:S[5]-2:S-2:S-1:	S(P[5]O[5]S[5]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(SP[5])	P[5](O[5]C[5,6])(S[5]C[5,6])(SC[6a])(S)	S(P[5]O[5]S[5]S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(SP[5]){1|C<3>,2|F<1>}	P[5](O[5]C[5,6])(S[5]C[5,6])(SC[6a])(S){1|H<1>,3|C<4>}	102.6450	0.000	1	102.6450	0.000	1	102.6450	0.000	1	102.6450	0.000	1	102.6450	0.000	1	102.6450	0.000	1
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	2:3:2:	3:2:1:	C[6a]-3:N-3:	S[6a]-2:C[6a]-3:S-2:	C[6a]-3:S-2:H-1:	S(C[6a]C[6a]S[6a])(NC[6a]H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SN)	N(C[6a]C[6a]2)(SC[6a])(H)	S(C[6a]C[6a]S[6a])(NC[6a]H)	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SN){1|O<1>,2|C<3>}	N(C[6a]C[6a]2)(SC[6a])(H)	104.6880	0.000	1	104.6880	0.000	1	104.6880	0.000	1	104.6880	0.000	1	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	2:4:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	S-2:C-4:H-1:	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(SN)	N(SC[6a])(CC3)(H)	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,2|H<1>}	N(SC[6a])(CC3)(H)	102.4290	0.000	1	102.4290	0.000	1	102.4290	0.000	1	102.4290	0.000	1	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	2:4:3:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	S-2:C-4:C-3:	S(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]H)2(SN)	N(SC[6a])(CH3)(CNO)	S(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,2|H<1>}	N(SC[6a])(CH3)(CNO)	105.1420	0.563	2	105.1420	0.317	2	105.1420	0.317	2	105.1420	0.317	2	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C-3:S-2:H-1:	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(CC[6a]O)(SC[6a])(H)	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(CC[6a]O)(SC[6a])(H)	101.5480	0.000	1	101.5480	0.000	1	101.5480	0.000	1	101.9940	0.662	3	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	3:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:S-2:H-1:	S(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(C[6a]C[6a]2)(SC[6a])(H)	S(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(SC[6a])(H)	102.2170	1.013	2	102.2170	1.025	2	102.2170	1.025	2	101.9940	0.662	3	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	4:2:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C[6]-4:S-2:H-1:	S(C[6a]C[6a]2)(NC[6]H)	C[6a](C[6a]C[6a]H)2(SN)	N(C[6]C[6]O[6]H)(SC[6a])(H)	S(C[6a]C[6a]2)(NC[6]H)	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,2|H<1>}	N(C[6]C[6]O[6]H)(SC[6a])(H)	101.1320	0.000	1	101.1320	0.000	1	101.1320	0.000	1	101.1320	0.000	1	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP2	S	C[6a]	N	3:3:	3:3:2:	4:2:2:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	S-4:S-2:S-2:	S(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN)	N(SC[6a]OO)(SC[6a])2	S(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SN){1|C<3>,2|H<1>}	N(SC[6a]OO)(SC[6a])2	101.0030	0.206	2	101.0030	0.043	2	101.0030	0.043	2	101.0030	0.043	2	102.6521	3.036	10	102.6521	3.036	10
909	643	956	0:SP2_SP2_SP3	S	C[6a]	N	3:3:	3:3:2:	2:4:1:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	S-2:C-4:H-1:	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(SN)	N(SC[6a])(CC3)(H)	S(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,2|H<1>}	N(SC[6a])(CC3)(H)	103.5700	0.000	1	103.5700	0.000	1	103.5700	0.000	1	103.5700	0.000	1	104.4835	1.669	2	104.4835	1.669	2
909	643	956	0:SP2_SP2_SP3	S	C[6a]	N	3:3:	3:3:2:	4:4:2:	C[6a]-3:N-3:	C[6a]-3:C[6a]-3:S-2:	C-4:C-4:S-2:	S(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]H)2(SN)	N(CC[6a]HH)2(SC[6a])	S(C[6a]C[6a]2)(NCC)	C[6a](C[6a]C[6a]H)2(SN){1|C<3>,1|H<1>,1|N<3>}	N(CC[6a]HH)2(SC[6a])	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	104.4835	1.669	2	104.4835	1.669	2
909	643	957	0:SP2_SP1_SP2	S	C[6a]	Si	3:2:	3:3:2:	2:2:	C[6a]-3:Si-2:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:	S(C[6a]C[6a]2)(SiS)	C[6a](C[6a]C[6a]2)2(SSi)	Si(SC[6a])2	S(C[6a]C[6a]2)(SiS)	C[6a](C[6a]C[6a]2)2(SSi){2|H<1>,5|C<3>}	Si(SC[6a])2	102.9290	2.940	2	102.9290	8.644	2	102.9290	8.644	2	102.9290	8.644	2	102.9290	8.644	2	102.9290	8.644	2
909	643	982	0:SP2_SP2_SPD5	S	C[6a]	Ge[3,3]	5:3:	3:3:2:	3:3:4:2:2:	Ge[3,3]-5:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	N[3]-3:N[3]-3:B[3,3]-4:S-2:S-2:	S(Ge[3,3]B[3,3]N[3]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SGe[3,3])	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(SC[6a])2	S(Ge[3,3]B[3,3]N[3]2S)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(SGe[3,3]){1|C<3>,2|H<1>}	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(SC[6a])2{4|C<3>}	99.9599	2.906	2	99.9599	8.446	2	99.9599	8.446	2	99.9599	8.446	2	99.9599	8.446	2	99.9599	8.446	2
909	643	983	0:SP2_SP1_SP2	S	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a,6a]-3:C[6a]-3:S-2:	S-2:N-1:	S(C[6a]C[6a,6a]C[6a])(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC)	C(SC[6a])(N)	S(C[6a]C[6a,6a]C[6a])(CN)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(SC){1|N<2>,2|C<3>,2|H<1>}	C(SC[6a])(N)	100.9940	0.000	1	100.9940	0.000	1	100.9940	0.000	1	100.3647	0.192	5	100.9754	2.391	6	100.9754	2.391	6
909	643	983	0:SP2_SP1_SP2	S	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	S-2:N-1:	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(SC)	C(SC[6a])(N)	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]S)(SC){1|C<3>,1|H<1>,1|N<2>}	C(SC[6a])(N)	100.4585	0.019	2	100.4585	0.000	2	100.2074	0.091	4	100.3647	0.192	5	100.9754	2.391	6	100.9754	2.391	6
909	643	983	0:SP2_SP1_SP2	S	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	S-2:N-1:	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	C(SC[6a])(N)	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	C(SC[6a])(N)	100.0560	0.000	1	100.0560	0.000	1	100.2074	0.091	4	100.3647	0.192	5	100.9754	2.391	6	100.9754	2.391	6
909	643	983	0:SP2_SP1_SP2	S	C[6a]	C	3:2:	3:3:2:	2:1:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	S-2:N-1:	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SC)	C(SC[6a])(N)	S(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(SC){1|C<3>,2|H<1>}	C(SC[6a])(N)	99.8566	0.000	1	99.8566	0.000	1	100.2074	0.091	4	100.3647	0.192	5	100.9754	2.391	6	100.9754	2.391	6
909	643	983	0:SP2_SP1_SP2	S	C[6a]	C	3:2:	3:3:2:	2:2:	C[6a]-3:C-2:	C[6a]-3:C[6a]-3:S-2:	C-2:S-2:	S(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC)	C(CC[6a])(SC[6a])	S(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(SC){1|C<3>,2|H<1>}	C(CC[6a])(SC[6a])	104.0290	0.000	1	104.0290	0.000	1	104.0290	0.000	1	104.0290	0.000	1	100.9754	2.391	6	100.9754	2.391	6
909	643	984	0:SP2_SP-NON_SP2	S	C[6a]	Ga	3:4:	3:3:2:	2:2:2:2:	C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:S-2:S-2:	S(C[6a]C[6a]2)(GaS3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SGa)	Ga(SC[6a])4	S(C[6a]C[6a]2)(GaS3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(SGa){1|C<3>,2|H<1>}	Ga(SC[6a])4	109.3470	4.478	4	109.3470	20.050	4	109.3470	20.050	4	109.3470	20.050	4	106.8680	16.302	10	106.8680	16.302	10
909	643	984	0:SP2_SP-NON_SP2	S	C[6a]	Ga	3:4:	3:3:2:	2:2:2:4:	C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:S-2:C-4:	S(C[6a]C[6a]2)(GaCSS)	C[6a](C[6a]C[6a]H)2(SGa)	Ga(SC[6a])3(CH3)	S(C[6a]C[6a]2)(GaCSS)	C[6a](C[6a]C[6a]H)2(SGa){1|C<3>,2|H<1>}	Ga(SC[6a])3(CH3)	104.8777	1.837	3	104.8777	3.374	3	104.8777	3.374	3	104.8777	3.374	3	106.8680	16.302	10	106.8680	16.302	10
909	643	984	0:SP2_SP-NON_SP2	S	C[6a]	Ga	3:4:	3:3:2:	2:2:4:4:	C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:C-4:C-4:	S(C[6a]C[6a]2)(GaCCS)	C[6a](C[6a]C[6a]H)2(SGa)	Ga(SC[6a])2(CH3)2	S(C[6a]C[6a]2)(GaCCS)	C[6a](C[6a]C[6a]H)2(SGa){1|C<3>,2|H<1>}	Ga(SC[6a])2(CH3)2	107.9890	1.602	2	107.9890	2.567	2	107.9890	2.567	2	107.9890	2.567	2	106.8680	16.302	10	106.8680	16.302	10
909	643	984	0:SP2_SP-NON_SP2	S	C[6a]	Ga	3:4:	3:3:2:	2:3:3:4:	C[6a]-3:Ga-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-3:S-3:C-4:	S(C[6a]C[6a]2)(GaCSS)	C[6a](C[6a]C[6a]H)2(SGa)	Ga(SC[6a])(SCuC)2(CH3)	S(C[6a]C[6a]2)(GaCSS)	C[6a](C[6a]C[6a]H)2(SGa){1|C<3>,2|H<1>}	Ga(SC[6a])(SCuC)2(CH3)	100.6810	0.000	1	100.6810	0.000	1	100.6810	0.000	1	100.6810	0.000	1	106.8680	16.302	10	106.8680	16.302	10
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:S-2:O-1:	S(C[6a]C[6a]2)(POSS)	C[6a](C[6a]C[6a]H)2(SP)	P(SC[6a])3(O)	S(C[6a]C[6a]2)(POSS)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(SC[6a])3(O)	103.3330	1.189	3	103.3330	1.413	3	103.3330	1.413	3	102.4276	3.942	9	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	2:2:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	S-2:S-2:S-2:S-1:	S(C[6a]C[6a]2)(PS3)	C[6a](C[6a]C[6a]H)2(SP)	P(SC[6a])3(S)	S(C[6a]C[6a]2)(PS3)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(SC[6a])3(S)	101.9750	2.237	6	101.9750	5.005	6	101.9750	5.005	6	102.4276	3.942	9	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	2:4:4:4:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	S-2:C-4:C-4:C-4:	S(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]H)2(SP)	P(SC[6a])(CC3)3	S(C[6a]C[6a]2)(PC3)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(SC[6a])(CC3)3	112.6340	0.922	2	112.6340	0.850	2	112.6340	0.850	2	112.6340	0.850	2	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:S-2:O-1:	S(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SP)	P(C[6a]C[6a]2)2(SC[6a])(O)	S(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(SP){1|H<1>,2|C<3>}	P(C[6a]C[6a]2)2(SC[6a])(O)	101.6490	0.000	1	101.6490	0.000	1	102.3445	0.967	2	102.3445	0.967	2	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	3:3:2:1:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:S-2:O-1:	S(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(SP)	P(C[6a]C[6a]2)2(SC[6a])(O)	S(C[6a]C[6a]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(SC[6a])(O)	103.0400	0.000	1	103.0400	0.000	1	102.3445	0.967	2	102.3445	0.967	2	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	3:4:	3:3:2:	3:3:3:2:	C[6a]-3:P-4:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	S(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(SP)	P(C[6a]C[6a]2)3(SC[6a])	S(C[6a]C[6a]2)(PC[6a]3)	C[6a](C[6a]C[6a]H)2(SP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)3(SC[6a])	99.6107	0.000	1	99.6107	0.000	1	99.6107	0.000	1	99.6107	0.000	1	103.8278	16.643	15	103.8278	16.643	15
909	643	992	0:SP2_SP2_SP3	S	C[6a]	P	4:3:	3:3:2:	3:3:3:2:	P-4:C[6a]-3:	C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6]-3:C[6]-3:S-2:	S(PC[6a]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(SP)	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	S(PC[6a]C[6]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(SP){1|C<3>,2|H<1>}	P(C[6a]C[6a]2)(C[6]C[6]2)2(SC[6a])	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	103.8278	16.643	15	103.8278	16.643	15
909	654	727	0:SP2_SP2_SP3	S	B[3x3]	C[5a]	4:3:	11:10:4:2:	2:2:2:	B[3x3]-4:C[5a]-3:	Nb[11x3]-11:Nb[11x3]-10:B[3x3]-4:S-2:	N[5a]-2:O[5a]-2:S-2:	S(B[3x3]Nb[11x3]2B[3x3])(C[5a]N[5a]O[5a])	B[3x3](Nb[11x3]C[3,3,5]5Nb[11x3]B[3x3]3H)(Nb[11x3]C[3,3,5]5Nb[11x3]B[3x3]3)(B[3x3]Nb[11x3]2H)(SC[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3])	S(B[3x3]Nb[11x3]2B[3x3])(C[5a]N[5a]O[5a])	B[3x3](Nb[11x3]C[3,3,5]5Nb[11x3]B[3x3]3H)(Nb[11x3]C[3,3,5]5Nb[11x3]B[3x3]3)(B[3x3]Nb[11x3]2H)(SC[5a]){10|C<4>,2|H<1>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SB[3x3]){2|C<3>}	99.6451	0.000	1	99.6451	0.000	1	99.6451	0.000	1	99.6451	0.000	1	99.6451	0.000	1	99.6451	0.000	1
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	2:2:2:	2:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:S[5a]-2:S-2:	N[5a]-2:S[5a]-2:S-2:	S(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a])	S(C[5a]N[5a]S[5a])2	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a]){2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(SC[5a]){2|H<1>}	101.6580	0.000	1	101.6580	0.000	1	101.6580	0.000	1	101.6580	0.000	1	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	2:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-2:O[5a]-2:S-2:	C[5a]-3:S[5a]-2:S-2:	S(C[5a]C[5a]S[5a])(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[5a])	S(C[5a]C[5a]S[5a])(C[5a]N[5a]O[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC[5a]){2|H<1>}	101.7965	0.605	2	101.7965	0.366	2	101.7965	0.366	2	101.7965	0.366	2	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-2:S-2:	C[5a,6a]-3:N[5a]-2:S-2:	S(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a])	S(C[5a]C[5a,6a]N[5a])2	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a]){1|H<1>,3|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a])(SC[5a]){1|H<1>,3|C<3>}	103.4970	0.000	1	103.4970	0.000	1	103.4970	0.000	1	101.7572	3.323	8	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:S[5a]-2:S-2:	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a])	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a])	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a]){1|S<2>,3|C<3>}	C[5a](C[5a]C[5a,5a]C[5a])(S[5a]C[5a,5a])(SC[5a]){1|S<2>,3|C<3>}	102.0280	0.000	1	102.0280	0.000	1	101.5086	3.300	7	101.7572	3.323	8	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:S[5a]-2:S-2:	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a])	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a])	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a]){1|Br<1>,1|Si<4>,2|C<3>}	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(SC[5a]){1|Br<1>,1|Si<4>,2|C<3>}	102.0577	1.357	5	102.0577	1.842	5	101.5086	3.300	7	101.7572	3.323	8	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:2:2:	3:2:2:	C[5a]-3:C[5a]-3:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:S[5a]-2:S-2:	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a])	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a])	S(C[5a]C[5a]S[5a])2	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(SC[5a]){2|C<3>,2|H<1>}	98.2439	0.000	1	98.2439	0.000	1	101.5086	3.300	7	101.7572	3.323	8	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a]2)(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	C[5a](C[5a]N[5a]C)2(SC[5a])	S(C[5a]C[5a]2)(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	C[5a](C[5a]N[5a]C)2(SC[5a]){1|H<1>}	102.2050	0.000	1	102.2050	0.000	1	102.2050	0.000	1	102.2050	0.000	1	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	2:2:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	N[5a]-2:O[5a]-2:S-2:	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a])	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a])	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a]O[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]H)(SC[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SC[5a]){2|C<3>}	100.3210	0.000	1	100.3210	0.000	1	100.3210	0.000	1	100.3210	0.000	1	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:2:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	S(C[5a]C[5a]N[5a])(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5a])	S(C[5a]C[5a]N[5a])(C[5a]N[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5a]){1|C<3>}	97.6833	0.000	1	97.6833	0.000	1	97.6833	0.000	1	97.6833	0.000	1	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,5a]-3:C[5a]-3:S-2:	C[5a,5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a])	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a])	S(C[5a]C[5a,5a]C[5a])2	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a]){1|S<2>,2|C<3>}	C[5a](C[5a,5a]C[5a,5a]2)(C[5a]S[5a]H)(SC[5a]){1|S<2>,2|C<3>}	101.7000	0.000	1	101.7000	0.000	1	101.7000	0.000	1	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a]-3:C[5a]-3:S-2:	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	S(C[5a]C[5a,6a]C[5a])(C[5a]N[5a,6a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC[5a]){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	101.8730	0.000	1	101.8730	0.000	1	101.8730	0.000	1	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SC[5a])	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(SC[5a])	S(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SC[5a]){1|Si<4>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(SC[5a]){1|H<1>}	101.8970	0.000	1	101.8970	0.000	1	103.4077	2.756	3	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a])	S(C[5a]C[5a]2)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(SC[5a]){1|C<3>,1|H<1>,1|S<2>}	104.1630	1.445	2	104.1630	2.089	2	103.4077	2.756	3	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:N[5a]-3:S-2:	S(C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	S(C[5a]C[5a]N[5a])2	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	101.0490	0.000	1	101.0490	0.000	1	101.0490	0.000	1	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:S-2:	N[5a,6a]-3:C[5a]-3:S-2:	S(C[5a]N[5a,6a]C[5a])2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a])	S(C[5a]N[5a,6a]C[5a])2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC[5a]){1|H<1>,4|C<3>}	103.6430	0.000	1	103.6430	0.000	1	103.6430	0.000	1	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	S(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	99.2400	0.000	1	99.2400	0.000	1	98.2421	1.992	2	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	727	0:SP2_SP2_SP2	S	C[5a]	C[5a]	3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a]-3:C[5a]-3:S-2:	S(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a])	S(C[5a]C[5a]N[5a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a]){2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a]){2|C<3>}	97.2441	0.000	1	97.2441	0.000	1	98.2421	1.992	2	101.6636	5.548	9	101.4996	3.883	23	101.4996	3.883	23
909	727	790	0:SP2_SP-NON_SP2	S	C[5a]	Cl	3:1:	3:3:2:	2:	C[5a]-3:Cl-1:	C[5a]-3:C[5a]-3:S-2:	S-2:	S(C[5a]C[5a]2)(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl)	Cl(SC[5a])	S(C[5a]C[5a]2)(Cl)	C[5a](C[5a]S[5a]Cl)(C[5a]C[5a]S)(SCl){1|Cl<1>}	Cl(SC[5a])	101.2965	0.056	2	101.2965	0.003	2	101.2965	0.003	2	101.2965	0.003	2	101.2965	0.003	2	101.2965	0.003	2
909	727	818	0:SP2_SP2_SP2	S	C[5a]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5a]-3:	N[5a]-3:N[5a]-2:S-2:	C[5,6a]-3:N[5]-2:S-2:	S(C[5]C[5,6a]N[5])(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a])	S(C[5]C[5,6a]N[5])(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(SC[5a]){1|H<1>,2|C<3>,2|O<1>}	98.9929	0.000	1	98.9929	0.000	1	98.9929	0.000	1	98.9929	0.000	1	100.4538	4.233	5	100.4538	4.233	5
909	727	818	0:SP2_SP2_SP2	S	C[5a]	C[5]	3:3:	3:2:2:	4:3:2:	C[5a]-3:C[5]-3:	N[5a]-3:N[5a]-2:S-2:	C[5]-4:C[5]-3:S-2:	S(C[5a]N[5a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5])	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a])	S(C[5a]N[5a]2)(C[5]C[5]2)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SC[5]){1|C<3>}	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a]){2|O<1>}	98.5651	0.000	1	98.5651	0.000	1	98.5651	0.000	1	98.5651	0.000	1	100.4538	4.233	5	100.4538	4.233	5
909	727	818	0:SP2_SP2_SP2	S	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5]-3:S[5]-2:S-2:	S(C[5]C[5]S[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(SC[5])	C[5](C[5]S[5]S)(S[5]C[5])(SC[5a])	S(C[5]C[5]S[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(SC[5]){1|H<1>}	C[5](C[5]S[5]S)(S[5]C[5])(SC[5a]){1|C<3>}	103.7620	0.000	1	101.5703	3.746	3	101.5703	3.746	3	101.5703	3.746	3	100.4538	4.233	5	100.4538	4.233	5
909	727	818	0:SP2_SP2_SP2	S	C[5a]	C[5]	3:3:	3:3:2:	3:2:2:	C[5]-3:C[5a]-3:	C[5a]-3:C[5a]-3:S-2:	C[5]-3:S[5]-2:S-2:	S(C[5]C[5]S[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(SC[5])	C[5](C[5]S[5]S)(S[5]C[5])(SC[5a])	S(C[5]C[5]S[5])(C[5a]C[5a]2)	C[5a](C[5a]N[5a]C)2(SC[5]){1|Re<6>}	C[5](C[5]S[5]S)(S[5]C[5])(SC[5a]){1|C<3>}	100.4745	0.535	2	101.5703	3.746	3	101.5703	3.746	3	101.5703	3.746	3	100.4538	4.233	5	100.4538	4.233	5
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|C<3>,1|H<1>}	S(C[5a]N[5a]2)(SC[5a])	101.0800	0.000	1	102.4352	2.562	4	102.4352	2.562	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){1|H<1>,1|N<3>}	S(C[5a]N[5a]2)(SC[5a])	103.4685	1.791	2	102.4352	2.562	4	102.4352	2.562	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a])(N[5a]N[5a])(SS){2|H<1>}	S(C[5a]N[5a]2)(SC[5a])	101.7240	0.000	1	102.4352	2.562	4	102.4352	2.562	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS)	S(C[5a]N[5a]S[5a])(SC[5a])	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS){1|C<4>}	S(C[5a]N[5a]S[5a])(SC[5a])	104.1250	0.000	1	103.1430	0.965	4	103.1430	0.965	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS)	S(C[5a]N[5a]S[5a])(SC[5a])	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS){1|H<1>}	S(C[5a]N[5a]S[5a])(SC[5a])	102.0800	0.000	1	103.1430	0.965	4	103.1430	0.965	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	2:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-2:S[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS)	S(C[5a]N[5a]S[5a])(SC[5a])	S(C[5a]N[5a]S[5a])(SC[5a])	C[5a](N[5a]N[5a])(S[5a]C[5a])(SS){1|S<1>}	S(C[5a]N[5a]S[5a])(SC[5a])	103.1835	0.893	2	103.1430	0.965	4	103.1430	0.965	4	102.7891	1.655	8	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]N[5a]S)(N[5a]S[5a])(SS)	S(C[5a]C[5a]N[5a])(SC[5a])	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]N[5a]S)(N[5a]S[5a])(SS)	S(C[5a]C[5a]N[5a])(SC[5a])	103.1840	0.000	1	103.1840	0.000	1	101.7590	4.061	2	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS)	S(C[5a]C[5a]N[5a])(SC[5a])	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]S[5a]N)(N[5a]C[5a])(SS){1|C<3>}	S(C[5a]C[5a]N[5a])(SC[5a])	100.3340	0.000	1	100.3340	0.000	1	101.7590	4.061	2	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:S[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]S[5a])(SC[5a])	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS)	S(C[5a]C[5a]S[5a])(SC[5a])	S(C[5a]C[5a]S[5a])(SC[5a])	C[5a](C[5a]S[5a]C)(S[5a]C[5a])(SS){1|O<1>}	S(C[5a]C[5a]S[5a])(SC[5a])	101.8355	0.646	2	101.8355	0.417	2	101.8355	0.417	2	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5]-3:S-2:	S(C[5a]N[5a]2)(SC[5])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	S(C[5]N[5]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	S(C[5]N[5]2)(SC[5a])	102.8780	0.509	2	102.8780	0.259	2	102.8780	0.259	2	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C)(N[5a]C[5a])(SS){2|H<1>}	S(C[5a]N[5a]2)(SC[5a])	102.7275	2.376	4	102.7275	5.644	4	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])(SS){2|C<3>,2|H<1>}	S(C[5a]N[5a]2)(SC[5a])	103.2175	0.029	2	103.2175	0.001	2	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])(SS){3|C<3>}	S(C[5a]N[5a]2)(SC[5a])	101.7595	1.155	2	101.7595	1.333	2	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(SS){2|H<1>}	S(C[5a]N[5a]2)(SC[5a])	101.6300	0.000	1	101.6300	0.000	1	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS){2|C<3>}	S(C[5a]N[5a]2)(SC[5a])	102.4780	0.501	2	102.4780	0.251	2	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	102.0030	0.677	2	102.0030	0.459	2	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[5a]-3:S-2:	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS)	S(C[5a]N[5a]2)(SC[5a])	S(C[5a]N[5a]2)(SC[5a])	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS){1|C<3>}	S(C[5a]N[5a]2)(SC[5a])	101.5290	0.446	3	101.5290	0.199	3	102.2527	1.654	16	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:2:2:	3:2:	C[5a]-3:S-2:	N[5a]-3:N[5a]-2:S-2:	C[6a]-3:S-2:	S(C[5a]N[5a]2)(SC[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS)	S(C[6a]C[6a]N[6a])(SC[5a])	S(C[5a]N[5a]2)(SC[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS){2|C<3>}	S(C[6a]C[6a]N[6a])(SC[5a])	102.6840	0.000	1	102.6840	0.000	1	102.6840	0.000	1	102.2466	1.425	23	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a,6a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a,6a]C[5a])(SS)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a,6a]C[5a])(SS)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]S)(SS){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	S(SC[5a])(SS)	103.4040	0.000	1	103.4040	0.000	1	103.4040	0.000	1	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]O)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[5a,6a]S)(C[5a]N[5a,6a]O)(SS){2|C<3>}	S(SC[5a])(SS)	103.5220	0.000	1	103.5220	0.000	1	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]S)(SS){1|S<2>,2|C<3>}	S(SC[5a])(SS)	102.7370	0.247	2	102.7370	0.061	2	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS){3|C<3>}	S(SC[5a])(SS)	102.6075	1.388	2	102.6075	1.927	2	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	S(SC[5a])(SC)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<4>}	S(SC[5a])(SC)	99.9866	0.000	1	99.9866	0.000	1	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]Cl)(C[5a]C[5a]S)(SS){1|Cl<1>,1|C<4>}	S(SC[5a])(SS)	103.6237	0.918	6	103.6237	0.842	6	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS)	S(SC[5a])(SC[6])	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]N[5a]N[6])(C[5a]N[5a]C)(SS){1|C<3>,2|C<4>}	S(SC[5a])(SC[6])	98.7563	0.000	1	98.7563	0.000	1	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS){1|Se<2>,2|C<3>}	S(SC[5a])(SS)	103.1320	0.000	1	103.1320	0.000	1	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]N[6])(C[5a]C[5a]S)(SS){1|N<3>,2|C<4>}	S(SC[5a])(SS)	103.8630	0.239	2	103.8630	0.057	2	102.8471	2.502	16	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:N[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]N[5a])(SS)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]N[5a])(SS)	C[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)(SS){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	S(SC[5a])(SS)	103.8855	0.233	2	103.8855	0.054	2	103.8855	0.054	2	102.9857	2.205	19	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]Br)(C[5a]S[5a]Si)(SS){1|Si<4>}	S(C[5a]C[5a]2)(SC[5a])	106.1630	0.000	1	106.1630	0.000	1	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]S[5a])(SS){1|C<4>,4|C<3>}	S(C[5a]C[5a]2)(SC[5a])	102.1015	0.012	2	102.1015	0.000	2	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SS){1|C<4>,1|I<1>}	S(C[5a]C[5a]2)(SC[5a])	107.0530	0.041	2	107.0530	0.002	2	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]C[6a]S[5a])(SS){4|C<3>}	S(C[5a]C[5a]2)(SC[5a])	101.2760	0.000	1	101.2760	0.000	1	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(SS){1|C<3>}	S(C[5a]C[5a]2)(SC[5a])	104.8250	0.000	1	104.8250	0.000	1	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]N[5a]C)2(SS)	S(C[5a]C[5a]2)(SC[5a])	S(C[5a]C[5a]2)(SC[5a])	C[5a](C[5a]N[5a]C)2(SS){1|C<4>}	S(C[5a]C[5a]2)(SC[5a])	101.3990	0.648	2	101.3990	0.420	2	103.7079	6.477	9	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP2	S	C[5a]	S	3:2:	3:3:2:	3:2:	C[5a]-3:S-2:	C[5a]-3:N[5a]-3:S-2:	C[5a]-3:S-2:	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS)	S(C[5a]C[5a]N[5a])(SC[5a])	S(C[5a]C[5a]N[5a])(SC[5a])	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(SS){2|C<3>}	S(C[5a]C[5a]N[5a])(SC[5a])	103.3910	0.191	2	103.3910	0.036	2	103.3910	0.036	2	103.6503	5.201	11	102.8011	2.505	61	102.8011	2.505	61
909	727	909	0:SP2_SP2_SP3	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]S)(SS){3|C<3>}	S(SC[5a])(SS)	102.7660	0.000	1	102.7660	0.000	1	102.4975	0.144	2	102.4975	0.144	2	102.4975	0.144	2	102.4975	0.144	2
909	727	909	0:SP2_SP2_SP3	S	C[5a]	S	3:2:	3:3:2:	2:2:	C[5a]-3:S-2:	C[5a]-3:C[5a]-3:S-2:	S-2:S-2:	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]S)(SS){1|Se<2>,2|C<3>}	S(SC[5a])(SS)	102.2290	0.000	1	102.2290	0.000	1	102.4975	0.144	2	102.4975	0.144	2	102.4975	0.144	2	102.4975	0.144	2
909	727	924	0:SP2_SP-NON_SP2	S	C[5a]	Br	3:1:	3:2:2:	2:	C[5a]-3:Br-1:	N[5a]-3:N[5a]-2:S-2:	S-2:	S(C[5a]N[5a]2)(Br)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr)	Br(SC[5a])	S(C[5a]N[5a]2)(Br)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(SBr){2|C<3>}	Br(SC[5a])	99.0668	0.000	1	99.0668	0.000	1	99.0668	0.000	1	99.0668	0.000	1	99.0668	0.000	1	99.0668	0.000	1
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	2:2:2:	2:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:S-2:	S-2:S-2:S-1:	S(C[5a]N[5a]S[5a])(CSS)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC)	C(SC[5a])2(S)	S(C[5a]N[5a]S[5a])(CSS)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC){2|C<3>}	C(SC[5a])2(S)	104.1407	3.982	3	104.1407	15.854	3	104.1407	15.854	3	104.1407	15.854	3	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	2:2:2:	2:3:1:	C[5a]-3:C-3:	N[5a]-2:N[5a]-2:S-2:	S-2:C-3:H-1:	S(C[5a]N[5a]2)(CCH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC)	C(SC[5a])(CCH)(H)	S(C[5a]N[5a]2)(CCH)	C[5a](N[5a]C[5a])(N[5a]N[5a])(SC){2|H<1>}	C(SC[5a])(CCH)(H)	98.6911	0.000	1	98.6911	0.000	1	98.6911	0.000	1	98.6911	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	2:2:2:	2:3:3:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:S-2:	S-2:C-3:C-3:	S(C[5a]N[5a]S[5a])(CCC)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC)	C(SC[5a])(CCO)2	S(C[5a]N[5a]S[5a])(CCC)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SC){1|S<2>}	C(SC[5a])(CCO)2	102.7700	1.098	6	102.7700	1.205	6	102.7700	1.205	6	102.7700	1.205	6	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	2:2:2:	3:2:1:	C[5a]-3:C-3:	N[5a]-2:S[5a]-2:S-2:	C-3:S-2:O-1:	S(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC)	C(CC[5a]N)(SC[5a])(O)	S(C[5a]N[5a]S[5a])(CCO)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(SC){2|C<3>}	C(CC[5a]N)(SC[5a])(O)	99.4155	0.000	1	99.4155	0.000	1	99.4155	0.000	1	99.4155	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:2:2:	3:2:1:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:S-2:	C[6a]-3:S-2:O-1:	S(C[5a]C[5a]S[5a])(CC[6a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC)	C(C[6a]C[6a]2)(SC[5a])(O)	S(C[5a]C[5a]S[5a])(CC[6a]O)	C[5a](C[5a]S[5a]S)(S[5a]C[5a])(SC){1|O<1>}	C(C[6a]C[6a]2)(SC[5a])(O)	101.5750	4.104	2	101.5750	16.844	2	101.5750	16.844	2	101.5750	16.844	2	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:2:2:	3:2:3:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:S-2:	C-3:S-2:C-3:	S(C[5a]N[5a]2)(CCC)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	C(CC[6a]O)(SC[5a])(CCH)	S(C[5a]N[5a]2)(CCC)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	C(CC[6a]O)(SC[5a])(CCH)	100.1180	0.000	1	100.1180	0.000	1	100.1180	0.000	1	100.1180	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:2:2:	3:2:4:	C[5a]-3:C-3:	C[5a]-3:S[5a]-2:S-2:	C-3:S-2:C-4:	S(C[5a]C[5a]S[5a])(CCC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC)	C(CC[6a]H)(SC[5a])(CCHH)	S(C[5a]C[5a]S[5a])(CCC)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	C(CC[6a]H)(SC[5a])(CCHH)	101.4290	0.000	1	101.4290	0.000	1	101.4290	0.000	1	101.4290	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:2:2:	4:3:2:	C[5a]-3:C-3:	N[5a]-3:N[5a]-2:S-2:	C[3]-4:C-3:S-2:	S(C[5a]N[5a]2)(CC[3]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	S(C[5a]N[5a]2)(CC[3]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	C(C[3]C[3]2H)(CC[6a]H)(SC[5a])	98.0342	0.000	1	98.0342	0.000	1	98.0342	0.000	1	98.0342	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	2:3:3:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	S-2:N-3:N-3:	S(C[5a]C[5a,6a]C[5a])(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C(SC[5a])(NCC)2	S(C[5a]C[5a,6a]C[5a])(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	C(SC[5a])(NCC)2	101.1430	0.000	1	101.1430	0.000	1	101.6880	0.594	2	101.6880	0.594	2	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	2:3:3:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	S-2:N-3:N-3:	S(C[5a]C[5a,6a]C[5a])(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C(SC[5a])(NHH)2	S(C[5a]C[5a,6a]C[5a])(CNN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){2|C<3>,2|H<1>}	C(SC[5a])(NHH)2	102.2330	0.000	1	102.2330	0.000	1	101.6880	0.594	2	101.6880	0.594	2	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[6a]-3:S-2:O-1:	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC)	C(C[6a]C[6a]2)(SC[5a])(O)	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]C)(SC){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(SC[5a])(O)	101.8860	0.000	1	101.8860	0.000	1	101.7220	0.054	2	101.7220	0.054	2	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	3:2:1:	C[5a]-3:C-3:	C[5a,6a]-3:C[5a]-3:S-2:	C[6a]-3:S-2:O-1:	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC)	C(C[6a]C[6a]2)(SC[5a])(O)	S(C[5a]C[5a,6a]C[5a])(CC[6a]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]N[5a]S)(SC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(SC[5a])(O)	101.5580	0.000	1	101.5580	0.000	1	101.7220	0.054	2	101.7220	0.054	2	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	3:2:2:	C[5a]-3:C-3:	C[5a]-3:N[5a]-3:S-2:	C[6a]-3:N-2:S-2:	S(C[5a]C[5a]N[5a])(CC[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC)	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	S(C[5a]C[5a]N[5a])(CC[6a]N)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(SC){1|H<1>,1|N<2>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a])(SC[5a])	103.5850	0.000	1	103.5850	0.000	1	103.5850	0.000	1	103.5850	0.000	1	102.3432	7.426	23	102.3432	7.426	23
909	727	930	0:SP2_SP2_SP2	S	C[5a]	C	3:3:	3:3:2:	3:3:2:	C[5a]-3:C-3:	C[5a]-3:C[5a]-3:S-2:	C[5]-3:C-3:S-2:	S(C[5a]C[5a]2)(CC[5]C)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SC)	C(C[5]S[5]2)(CC[5]S)(SC[5a])	S(C[5a]C[5a]2)(CC[5]C)	C[5a](C[5a]C[5a]S)(C[5a]N[5a]I)(SC){1|C<4>,1|I<1>}	C(C[5]S[5]2)(CC[5]S)(SC[5a])	106.8050	2.633	2	106.8050	6.934	2	106.8050	6.934	2	106.8050	6.934	2	102.3432	7.426	23	102.3432	7.426	23
909	727	941	0:SP2_SP2_SP2	S	C[5a]	N	3:2:	2:2:2:	3:2:	C[5a]-3:N-2:	N[5a]-2:O[5a]-2:S-2:	C-3:S-2:	S(C[5a]N[5a]O[5a])(NC)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN)	N(CC[6a]2)(SC[5a])	S(C[5a]N[5a]O[5a])(NC)	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(SN){2|C<3>}	N(CC[6a]2)(SC[5a])	99.1023	0.000	1	99.1023	0.000	1	99.1023	0.000	1	99.1023	0.000	1	99.1023	0.000	1	99.1023	0.000	1
909	727	951	0:SP2_SP-NON_SP2	S	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	C[5a]-3:N[5a]-2:S-2:	S-2:	S(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH)	H(SC[5a])	S(C[5a]C[5a]N[5a])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(SH){2|C<4>}	H(SC[5a])	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.4645	0.001	2	109.4645	0.001	2	109.4645	0.001	2
909	727	951	0:SP2_SP-NON_SP2	S	C[5a]	H	3:1:	3:2:2:	2:	C[5a]-3:H-1:	N[5a]-3:N[5a]-2:S-2:	S-2:	S(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SH)	H(SC[5a])	S(C[5a]N[5a]2)(H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(SH){1|C<3>}	H(SC[5a])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	109.4645	0.001	2	109.4645	0.001	2	109.4645	0.001	2
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:2:2:	2:1:	C[5a]-3:C-2:	C[5a]-3:O[5a]-2:S-2:	S-2:N-1:	S(C[5a]C[5a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC)	C(SC[5a])(N)	S(C[5a]C[5a]O[5a])(CN)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(SC){2|C<3>}	C(SC[5a])(N)	98.8478	0.000	1	98.8478	0.000	1	98.8478	0.000	1	99.8863	1.669	3	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:2:2:	2:1:	C[5a]-3:C-2:	C[5a]-3:S[5a]-2:S-2:	S-2:N-1:	S(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC)	C(SC[5a])(N)	S(C[5a]C[5a]S[5a])(CN)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(SC){1|C<3>,1|H<1>}	C(SC[5a])(N)	100.4056	1.312	2	100.4056	1.720	2	100.4056	1.720	2	99.8863	1.669	3	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	C[5a,6a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]C[5a,6a]C[5a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC)	C(SC[5a])(N)	S(C[5a]C[5a,6a]C[5a])(CN)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(SC){1|C<4>,1|H<1>,2|C<3>}	C(SC[5a])(N)	102.2280	0.000	1	102.2280	0.000	1	102.2280	0.000	1	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	C[5a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]C[5a]2)(CN)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC)	C(SC[5a])(N)	S(C[5a]C[5a]2)(CN)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]S)(SC){1|H<1>,1|N<2>,2|C<3>}	C(SC[5a])(N)	99.8252	0.477	4	99.8252	0.227	4	99.8252	0.227	4	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	N[5a,5a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]N[5a,5a]C[5a])(CN)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC)	C(SC[5a])(N)	S(C[5a]N[5a,5a]C[5a])(CN)	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(SC){1|S<2>,4|C<3>}	C(SC[5a])(N)	101.0580	0.000	1	101.0580	0.000	1	101.0580	0.000	1	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	N[5a,6]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]N[5a,6]C[5a])(CN)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC)	C(SC[5a])(N)	S(C[5a]N[5a,6]C[5a])(CN)	C[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	C(SC[5a])(N)	99.1466	0.098	2	99.1466	0.010	2	99.1466	0.010	2	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]N[5a,6a]C[5a])(CN)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC)	C(SC[5a])(N)	S(C[5a]N[5a,6a]C[5a])(CN)	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]H)(SC){1|H<1>,3|C<3>}	C(SC[5a])(N)	98.6689	0.299	2	98.6689	0.089	2	99.1709	0.862	4	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	N[5a,6a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]N[5a,6a]C[5a])(CN)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC)	C(SC[5a])(N)	S(C[5a]N[5a,6a]C[5a])(CN)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(SC){1|H<1>,4|C<3>}	C(SC[5a])(N)	99.6728	1.221	2	99.6728	1.490	2	99.1709	0.862	4	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	983	0:SP2_SP1_SP2	S	C[5a]	C	3:2:	3:3:2:	2:1:	C[5a]-3:C-2:	N[5a]-3:C[5a]-3:S-2:	S-2:N-1:	S(C[5a]C[5a]N[5a])(CN)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC)	C(SC[5a])(N)	S(C[5a]C[5a]N[5a])(CN)	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)(SC){4|C<3>}	C(SC[5a])(N)	99.2722	0.000	1	99.2722	0.000	1	99.2722	0.000	1	99.7566	1.121	13	99.7809	1.122	16	99.7809	1.122	16
909	727	992	0:SP2_SP2_SP3	S	C[5a]	P	3:4:	2:2:2:	4:2:2:1:	C[5a]-3:P-4:	N[5a]-2:S[5a]-2:S-2:	C[5]-4:S-2:S-2:S-1:	S(C[5a]N[5a]S[5a])(PC[5]SS)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SP)	P(C[5]C[5]2Fe)(SC[5a])(SC)(S)	S(C[5a]N[5a]S[5a])(PC[5]SS)	C[5a](N[5a]N[5a])(S[5a]C[5a])(SP){1|S<2>}	P(C[5]C[5]2Fe)(SC[5a])(SC)(S)	101.1035	1.095	2	101.1035	1.200	2	101.1035	1.200	2	101.1035	1.200	2	101.1035	1.200	2	101.1035	1.200	2
909	730	730	0:SP3_SP3_SP3	S	As	As	3:3:	2:2:2:	2:2:1:	As-3:As-3:	S-2:S-2:S-2:	S-2:S-2:S-1:	S(AsSS)2	As(SAs)2(SCu)	As(SAs)2(S)	S(AsSS)2	As(SAs)2(SCu)	As(SAs)2(S)	98.6903	8.961	2	98.6903	80.306	2	98.6903	80.306	2	98.6903	80.306	2	98.6903	80.306	2	98.6903	80.306	2
909	730	930	0:SP2_SP2_SP2	S	As	C	3:3:	2:2:2:	3:2:1:	As-3:C-3:	S-2:S-2:S-2:	N-3:S-2:S-1:	S(AsSS)(CNS)	As(SC)3	C(NCC)(SAs)(S)	S(AsSS)(CNS)	As(SC)3	C(NCC)(SAs)(S)	93.0133	1.499	3	93.0133	2.247	3	93.0133	2.247	3	93.0133	2.247	3	93.0133	2.247	3	93.0133	2.247	3
909	730	990	0:SP2_SP2_SP2	S	As	As	3:2:	2:2:1:	2:2:	As-3:As-2:	S-2:S-2:S-1:	S-2:S-2:	S(AsSS)(AsS)	As(SAs)2(S)	As(SAs)(SCu)	S(AsSS)(AsS)	As(SAs)2(S)	As(SAs)(SCu)	99.7548	0.736	2	99.7548	0.541	2	99.7548	0.541	2	99.7548	0.541	2	99.7548	0.541	2	99.7548	0.541	2
909	730	992	0:SP3_SP3_SP3	S	As	P	4:3:	2:2:2:	2:2:2:1:	P-4:As-3:	S-2:S-2:S-2:	S-2:O-2:O-2:S-1:	S(POOS)(AsSS)	As(SP)3	P(SAs)(OC)2(S)	S(POOS)(AsSS)	As(SP)3	P(SAs)(OC)2(S)	94.8592	0.071	2	94.8592	0.005	2	94.8592	0.005	2	94.8592	0.005	2	94.8592	0.005	2	94.8592	0.005	2
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:N[6]-2:S-2:	N[6]-3:N[6]-2:S-2:	S(C[6]N[6]2)2	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6])	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6])	S(C[6]N[6]2)2	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Co)(N[6]C[6])(SC[6]){1|H<1>,2|C<3>}	114.7090	0.639	2	114.7090	0.409	2	114.7090	0.409	2	114.7090	0.409	2	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-2:S-2:	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	C[6](N[6]C[6]Rh)(C[6]C[6])(SC[6])	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](N[6]C[6]Rh)(C[6]C[6])(SC[6]){1|C<2>,1|H<1>,1|S<2>}	105.3070	0.000	1	105.3070	0.000	1	105.3070	0.000	1	105.3070	0.000	1	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	S(C[6]C[6]2)2	C[6](C[6]C[6]H)2(SC[6])	C[6](C[6]C[6]H)2(SC[6])	S(C[6]C[6]2)2	C[6](C[6]C[6]H)2(SC[6]){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(SC[6]){1|N<3>,2|H<1>}	103.3790	0.884	2	103.3790	0.781	2	104.3945	1.859	4	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	S(C[6]C[6]2)2	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	S(C[6]C[6]2)2	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	105.9890	0.000	1	105.9890	0.000	1	104.3945	1.859	4	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	S(C[6]C[6]2)2	C[6](C[6]C[6]O)2(SC[6])	C[6](C[6]C[6]O)2(SC[6])	S(C[6]C[6]2)2	C[6](C[6]C[6]O)2(SC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]O)2(SC[6]){1|C<4>,4|H<1>}	104.8310	0.000	1	104.8310	0.000	1	104.3945	1.859	4	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:S-2:	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6])	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6]){1|H<1>,2|C<3>}	115.4550	0.000	1	115.4550	0.000	1	103.9699	12.386	15	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:S-2:	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	103.2912	1.539	13	103.2912	2.368	13	103.9699	12.386	15	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	762	0:SP2_SP2_SP2	S	C[6]	C[6]	3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:	N[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:S-2:	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6])	S(C[6]C[6]N[6])2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6]){1|C<3>,2|H<1>}	101.3080	0.000	1	101.3080	0.000	1	103.9699	12.386	15	104.0593	9.975	19	105.0841	18.345	22	105.0841	18.345	22
909	762	778	0:SP2_SP2_SPD5	S	C[6]	C[3x3,3x5,12x6]	5:3:	2:3:3:	6:6:5:5:2:	C[3x3,3x5,12x6]-5:C[6]-3:	S-2:C[6]-3:N[6]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:S-2:	S(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]N[6])	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S)(SC[6])	S(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]N[6])	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2S)(SC[6]){1|B<6>,6|H<1>}	104.8660	3.625	2	104.8660	13.138	2	104.8660	13.138	2	104.8660	13.138	2	104.8660	13.138	2	103.3792	7.388	4
909	762	778	0:SP2_SP2_SPD5	S	C[6]	C[3x3,4,3x5,14x6]	5:3:	2:3:3:	6:6:6:6:2:	C[3x3,4,3x5,14x6]-5:C[6]-3:	S-2:N[6]-3:C[6]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]Ir)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[6])	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]Ir)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[6]){1|B<6>,1|C<4>,5|H<1>}	101.5900	0.000	1	101.5900	0.000	1	101.8925	0.183	2	101.8925	0.183	2	101.8925	0.183	2	103.3792	7.388	4
909	762	778	0:SP2_SP2_SPD5	S	C[6]	C[3x3,4,3x5,14x6]	5:3:	2:3:3:	6:6:6:6:2:	C[3x3,4,3x5,14x6]-5:C[6]-3:	S-2:N[6]-3:C[6]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Rh)(C[6]C[6]H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]Rh)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[6])	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]N[6])	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]Rh)(B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[6]){1|B<6>,1|C<4>,5|H<1>}	102.1950	0.000	1	102.1950	0.000	1	101.8925	0.183	2	101.8925	0.183	2	101.8925	0.183	2	103.3792	7.388	4
909	762	818	0:SP2_SP2_SP2	S	C[6]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[5]-3:C[5]-3:S-2:	S(C[5]C[5]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(SC[5])	C[5](C[5]N[5]C)2(SC[6])	S(C[5]C[5]2)(C[6]C[6]2)	C[6](C[6]C[6]H)2(SC[5]){1|N<3>,2|H<1>}	C[5](C[5]N[5]C)2(SC[6]){1|Co<4>,1|H<1>}	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1	103.7260	0.000	1
909	762	899	0:SP2_SP-NON_SP2	S	C[6]	C	3:1:	2:2:2:	2:	C[6]-3:C-1:	N[6]-2:N[6]-2:S-2:	S-2:	S(C[6]N[6]2)(C)	C[6](N[6]C[6])2(SC)	C(SC[6])	S(C[6]N[6]2)(C)	C[6](N[6]C[6])2(SC){1|C<2>,2|N<1>}	C(SC[6])	96.2568	0.000	1	96.2568	0.000	1	96.2568	0.000	1	96.2568	0.000	1	96.2568	0.000	1	96.2568	0.000	1
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:2:2:	3:2:	C[6]-3:S-2:	N[6]-3:N[6]-2:S-2:	C[6]-3:S-2:	S(C[6]N[6]2)(SC[6])	C[6](N[6]C[6]Cu)(N[6]C[6])(SS)	S(C[6]N[6]2)(SC[6])	S(C[6]N[6]2)(SC[6])	C[6](N[6]C[6]Cu)(N[6]C[6])(SS){1|H<1>,2|C<3>}	S(C[6]N[6]2)(SC[6])	104.3665	4.347	2	104.3665	18.893	2	104.3665	18.893	2	104.3665	18.893	2	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:S-2:	S(C[6]C[6]2)(SC[6])	C[6](C[6]C[5a]O[6])2(SS)	S(C[6]C[6]2)(SC[6])	S(C[6]C[6]2)(SC[6])	C[6](C[6]C[5a]O[6])2(SS){1|B<4>,2|C<3>,2|N<3>}	S(C[6]C[6]2)(SC[6])	105.1935	0.028	2	105.1935	0.001	2	104.8866	0.591	19	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:S-2:	S(C[6]C[6]2)(SC[6])	C[6](C[6]C[6]H)2(SS)	S(C[6]C[6]2)(SC[6])	S(C[6]C[6]2)(SC[6])	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	S(C[6]C[6]2)(SC[6])	104.8505	0.807	17	104.8505	0.652	17	104.8866	0.591	19	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6a]-3:S-2:	S(C[6]C[6]2)(SC[6a])	C[6](C[6]C[6]H)2(SS)	S(C[6a]C[6a]2)(SC[6])	S(C[6]C[6]2)(SC[6a])	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	S(C[6a]C[6a]2)(SC[6])	105.8987	2.094	3	105.8987	4.384	3	105.8987	4.384	3	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6]-3:S-2:	S(C[6]C[6]N[6])(SC[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	S(C[6]C[6]N[6])(SC[6])	S(C[6]C[6]N[6])(SC[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(SS){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(SC[6])	101.9500	1.115	4	101.9500	1.243	4	101.9500	1.243	4	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6a]-3:S-2:	S(C[6]C[6]N[6])(SC[6a])	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	S(C[6a]C[6a]N[6a])(SC[6])	S(C[6]C[6]N[6])(SC[6a])	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6])	104.3510	0.000	1	104.3510	0.000	1	104.0225	0.216	2	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	C[6]-3:N[6]-3:S-2:	C[6a]-3:S-2:	S(C[6]C[6]N[6])(SC[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	S(C[6a]C[6a]N[6a])(SC[6])	S(C[6]C[6]N[6])(SC[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(SC[6])	103.6940	0.000	1	103.6940	0.000	1	104.0225	0.216	2	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	909	0:SP2_SP2_SP2	S	C[6]	S	3:2:	3:3:2:	3:2:	C[6]-3:S-2:	N[6]-3:N[6]-3:S-2:	C[6]-3:S-2:	S(C[6]N[6]2)(SC[6])	C[6](N[6]C[6]H)2(SS)	S(C[6]N[6]2)(SC[6])	S(C[6]N[6]2)(SC[6])	C[6](N[6]C[6]H)2(SS){1|C<4>,4|H<1>}	S(C[6]N[6]2)(SC[6])	102.8328	1.187	4	102.8328	1.408	4	102.8328	1.408	4	104.3037	2.343	32	104.3074	2.774	34	104.3074	2.774	34
909	762	930	0:SP2_SP2_SP2	S	C[6,6]	C	3:3:	4:3:2:	2:2:1:	C[6,6]-3:C-3:	C[3x6]-4:C[6,6]-3:S-2:	S-2:O-2:O-1:	S(C[6,6]C[3x6]C[6,6])(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC)	C(SC[6,6])(OC)(O)	S(C[6,6]C[3x6]C[6,6])(COO)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(SC){1|H<1>,4|C<3>}	C(SC[6,6])(OC)(O)	103.1100	0.000	1	103.1100	0.000	1	103.1100	0.000	1	103.1100	0.000	1	103.1100	0.000	1	102.0100	2.659	6
909	762	930	0:SP2_SP2_SP2	S	C[6]	C	3:3:	3:2:2:	2:2:1:	C[6]-3:C-3:	C[6]-3:S[6]-2:S-2:	S-2:O-2:O-1:	S(C[6]C[6]S[6])(COO)	C[6](C[6]S[6]S)(S[6]C[6])(SC)	C(SC[6])(OC)(O)	S(C[6]C[6]S[6])(COO)	C[6](C[6]S[6]S)(S[6]C[6])(SC){1|C<4>,2|H<1>}	C(SC[6])(OC)(O)	102.7855	0.715	2	102.7855	0.511	2	102.7855	0.511	2	102.7855	0.511	2	101.7900	2.961	5	102.0100	2.659	6
909	762	930	0:SP2_SP2_SP2	S	C[6]	C	3:3:	3:3:2:	2:3:3:	C[6]-3:C-3:	N[6]-3:C[6]-3:S-2:	S-2:C-3:C-3:	S(C[6]C[6]N[6])(CCC)	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	C(SC[6])(CCH)(COO)	S(C[6]C[6]N[6])(CCC)	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC){1|Se<2>,1|C<4>,3|C<3>}	C(SC[6])(CCH)(COO)	102.8730	0.000	1	102.8730	0.000	1	102.8730	0.000	1	102.8730	0.000	1	101.7900	2.961	5	102.0100	2.659	6
909	762	930	0:SP2_SP2_SP2	S	C[6]	C	3:3:	3:3:2:	2:4:1:	C[6]-3:C-3:	C[6]-3:C[6]-3:S-2:	S-2:C-4:O-1:	S(C[6]C[6]2)(CCO)	C[6](C[6]C[5a]O[6])2(SC)	C(SC[6])(CH3)(O)	S(C[6]C[6]2)(CCO)	C[6](C[6]C[5a]O[6])2(SC){1|B<4>,2|C<3>,2|N<3>}	C(SC[6])(CH3)(O)	100.2529	1.858	2	100.2529	3.454	2	100.2529	3.454	2	100.2529	3.454	2	101.7900	2.961	5	102.0100	2.659	6
909	762	951	0:SP2_SP-NON_SP2	S	C[6]	H	3:1:	3:3:2:	2:	C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	S-2:	S(C[6]C[6]2)(H)	C[6](C[6]C[5a]O[6])2(SH)	H(SC[6])	S(C[6]C[6]2)(H)	C[6](C[6]C[5a]O[6])2(SH){1|B<4>,2|C<3>,2|N<3>}	H(SC[6])	99.0481	0.000	1	99.0481	0.000	1	99.0481	0.000	1	99.0481	0.000	1	99.0481	0.000	1	99.0481	0.000	1
909	762	983	0:SP2_SP1_SP2	S	C[6]	C	3:2:	3:3:2:	3:2:	C[6]-3:C-2:	C[6]-3:C[6]-3:S-2:	C[6a]-3:S-2:	S(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(SC)	C(C[6a]C[6a]2)(SC[6])	S(C[6]C[6]2)(CC[6a])	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(SC[6])	104.6505	0.829	2	104.6505	0.688	2	104.6505	0.688	2	104.6505	0.688	2	104.6505	0.688	2	104.6505	0.688	2
909	778	778	0:SP3_SPD5_SPD5	S	C[3x3,4,3x5,14x6]	C[3x3,4,3x5,14x6]	5:5:	6:6:6:6:2:	6:6:6:6:2:	C[3x3,4,3x5,14x6]-5:C[3x3,4,3x5,14x6]-5:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[3x3,4,3x5,14x6])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[3x3,4,3x5,14x6])	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[3x3,4,3x5,14x6]){1|B<6>,1|C<4>,5|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC[3x3,4,3x5,14x6]){1|B<6>,1|C<4>,5|H<1>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1
909	778	909	0:SP3_SP3_SPD5	S	C[3x3,4,3x5,14x6]	S	5:2:	6:6:6:6:2:	2:2:	C[3x3,4,3x5,14x6]-5:S-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SS)	S(SC[3x3,4,3x5,14x6])2	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SS){1|B<6>,1|N<2>,5|H<1>}	S(SC[3x3,4,3x5,14x6])2	105.1305	0.515	2	105.1305	0.266	2	105.1305	0.266	2	105.1305	0.266	2	105.6723	0.673	6	105.6723	0.673	6
909	778	909	0:SP3_SP3_SPD5	S	C[3x3,4,3x5,14x6]	S	5:2:	6:6:6:6:2:	5:2:	C[3x3,4,3x5,14x6]-5:S-2:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	C[3x3,4,3x5,14x6]-5:S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[3x3,4,3x5,14x6])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SS)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[3x3,4,3x5,14x6])	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[3x3,4,3x5,14x6])	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SS){1|B<6>,1|N<2>,5|H<1>}	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SC[3x3,4,3x5,14x6])	105.9433	0.860	4	105.9433	0.740	4	105.9433	0.740	4	105.9433	0.740	4	105.6723	0.673	6	105.6723	0.673	6
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:1:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-3:H-1:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[5])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[5])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC){1|Co<8>,1|B<6>,1|S<2>,2|C<4>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(CCH)(H)	102.1900	0.000	1	103.5715	3.817	2	102.3764	1.889	9	102.0303	1.878	12	102.6724	3.748	15	102.6724	3.748	15
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:1:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-3:H-1:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[5])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[5])(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC){1|Co<9>,1|B<6>,1|S<2>,2|C<4>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(CCH)(H)	104.9530	0.000	1	103.5715	3.817	2	102.3764	1.889	9	102.0303	1.878	12	102.6724	3.748	15	102.6724	3.748	15
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:1:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-3:H-1:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC){1|B<6>,1|S<2>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(CCH)(H)	102.0350	1.127	7	102.0350	1.270	7	102.3764	1.889	9	102.0303	1.878	12	102.6724	3.748	15	102.6724	3.748	15
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:1:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,6x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-3:H-1:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,6x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[3x5,6])(B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]2)(CCH)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[5x3,4x5,17x6]B[4x3,4,6x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)(B[4x3,4,6x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]C[3x5,6])(B[4x3,4,5x5,21x6]C[3x3,4,4x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)(SC){1|B<6>,1|C<3>,1|S<2>,2|C<4>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(CCH)(H)	100.9920	0.786	3	100.9920	0.618	3	100.9920	0.618	3	102.0303	1.878	12	102.6724	3.748	15	102.6724	3.748	15
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:3:3:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-3:C-3:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCC)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCC)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC){1|B<6>,1|S<2>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	102.6724	3.748	15	102.6724	3.748	15
909	778	930	0:SP2_SP2_SPD5	S	C[3x3,4,3x5,14x6]	C	5:3:	6:6:6:6:2:	2:4:3:	C[3x3,4,3x5,14x6]-5:C-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C[5]-4:C-3:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[5]C)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC)	C(SC[3x3,4,3x5,14x6])(C[5]C[5]2Fe)(CHH)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[5]C)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SC){1|B<6>,1|S<2>,5|H<1>}	C(SC[3x3,4,3x5,14x6])(C[5]C[5]2Fe)(CHH)	104.2345	1.002	2	104.2345	1.004	2	104.2345	1.004	2	104.2345	1.004	2	102.6724	3.748	15	102.6724	3.748	15
909	778	945	0:SP3_SP3_SPD5	S	C[3x3,4,3x5,14x6]	P	5:3:	6:6:6:6:2:	2:2:4:	C[3x3,4,3x5,14x6]-5:P-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:S-2:C-4:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PCS)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SP)	P(SC[3x3,4,3x5,14x6])2(CC3)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PCS)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SP){1|B<6>,1|S<2>,5|H<1>}	P(SC[3x3,4,3x5,14x6])2(CC3)	102.6435	0.823	4	102.6435	0.678	4	102.6435	0.678	4	102.6435	0.678	4	101.8863	1.903	6	101.8863	1.903	6
909	778	945	0:SP3_SP3_SPD5	S	C[3x3,4,3x5,14x6]	P	5:3:	6:6:6:6:2:	2:4:1:	C[3x3,4,3x5,14x6]-5:P-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:C-4:Cl-1:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PClC)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SP)	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(PClC)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SP){1|B<6>,1|S<2>,5|H<1>}	P(SC[3x3,4,3x5,14x6])(CHHP)(Cl)	100.3720	0.775	2	100.3720	0.601	2	100.3720	0.601	2	100.3720	0.601	2	101.8863	1.903	6	101.8863	1.903	6
909	778	951	0:SP3_SP-NON_SPD5	S	C[3x3,4,3x5,14x6]	H	5:1:	6:6:6:6:2:	2:	C[3x3,4,3x5,14x6]-5:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:S-2:	S-2:	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SH)	H(SC[3x3,4,3x5,14x6])	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(SH){1|B<6>,1|N<2>,5|H<1>}	H(SC[3x3,4,3x5,14x6])	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1	109.4770	0.000	1
909	790	930	0:SP2_SP-NON_SP2	S	Cl	C	3:1:	2:	2:1:1:	C-3:Cl-1:	S-2:	S-2:Cl-1:O-1:	S(CClO)(Cl)	Cl(SC)	C(SCl)(Cl)(O)	S(CClO)(Cl)	Cl(SC)	C(SCl)(Cl)(O)	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1	100.9740	0.000	1
909	818	818	0:SP2_SP2_SP2	S	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	C[5]-3:N[5]-2:S-2:	C[5]-3:N[5]-2:S-2:	S(C[5]C[5]N[5])2	C[5](C[5]C[5]H)(N[5]C[5])(SC[5])	C[5](C[5]C[5]H)(N[5]C[5])(SC[5])	S(C[5]C[5]N[5])2	C[5](C[5]C[5]H)(N[5]C[5])(SC[5]){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(SC[5]){1|C<3>,1|H<1>}	108.2350	1.446	3	108.2350	2.090	3	108.2350	2.090	3	103.8207	17.065	8	102.4633	16.101	13	102.4633	16.101	13
909	818	818	0:SP2_SP2_SP2	S	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:S-2:	N[5]-3:S[5]-2:S-2:	S(C[5]N[5]S[5])2	C[5](N[5]C[5,6]Re)(S[5]C[5,6])(SC[5])	C[5](N[5]C[5,6a]Re)(S[5]C[5,6a])(SC[5])	S(C[5]N[5]S[5])2	C[5](N[5]C[5,6]Re)(S[5]C[5,6])(SC[5]){1|C<2>,1|C<3>}	C[5](N[5]C[5,6a]Re)(S[5]C[5,6a])(SC[5]){2|C<3>}	100.4870	0.000	1	100.4870	0.000	1	101.1721	5.436	5	103.8207	17.065	8	102.4633	16.101	13	102.4633	16.101	13
909	818	818	0:SP2_SP2_SP2	S	C[5]	C[5]	3:3:	3:2:2:	3:2:2:	C[5]-3:C[5]-3:	N[5]-3:S[5]-2:S-2:	N[5]-3:S[5]-2:S-2:	S(C[5]N[5]S[5])2	C[5](N[5]C[5]Ru)(S[5]C[5])(SC[5])	C[5](N[5]C[5]Ru)(S[5]C[5])(SC[5])	S(C[5]N[5]S[5])2	C[5](N[5]C[5]Ru)(S[5]C[5])(SC[5]){2|H<1>}	C[5](N[5]C[5]Ru)(S[5]C[5])(SC[5]){2|H<1>}	101.3433	2.656	4	101.3433	7.052	4	101.1721	5.436	5	103.8207	17.065	8	102.4633	16.101	13	102.4633	16.101	13
909	818	818	0:SP2_SP2_SP2	S	C[5]	C[5]	3:3:	3:2:2:	3:3:2:	C[5]-3:C[5]-3:	C[5]-3:S[5]-2:S-2:	C[5]-3:C[5]-3:S-2:	S(C[5]C[5]S[5])(C[5]C[5]2)	C[5](C[5]S[5]S)(S[5]C[5])(SC[5])	C[5](C[5]N[5]C)2(SC[5])	S(C[5]C[5]S[5])(C[5]C[5]2)	C[5](C[5]S[5]S)(S[5]C[5])(SC[5]){1|C<3>}	C[5](C[5]N[5]C)2(SC[5]){1|Re<6>,1|H<1>}	101.3331	2.139	4	101.3331	4.577	4	101.3331	4.577	4	101.3331	4.577	4	102.4633	16.101	13	102.4633	16.101	13
909	818	818	0:SP2_SP2_SP2	S	C[5]	C[5]	3:3:	3:3:2:	3:3:2:	C[5]-3:C[5]-3:	N[5]-3:N[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	S(C[5]N[5]2)2	C[5](N[5]C[5]C)2(SC[5])	C[5](N[5]C[5]C)2(SC[5])	S(C[5]N[5]2)2	C[5](N[5]C[5]C)2(SC[5]){2|H<1>}	C[5](N[5]C[5]C)2(SC[5]){2|H<1>}	96.1253	0.000	1	96.1253	0.000	1	96.1253	0.000	1	96.1253	0.000	1	102.4633	16.101	13	102.4633	16.101	13
909	818	899	0:SP2_SP-NON_SP2	S	C[5]	C	3:1:	3:2:2:	2:	C[5]-3:C-1:	C[5]-3:S[5]-2:S-2:	S-2:	S(C[5]C[5]S[5])(C)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])	S(C[5]C[5]S[5])(C)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|C<3>}	C(SC[5])	102.2532	0.914	15	102.2532	0.835	15	102.2532	0.835	15	102.2532	0.835	15	102.2532	0.835	15	102.2532	0.835	15
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:2:2:	3:2:	C[5]-3:S-2:	C[5]-3:S[5]-2:S-2:	C[5]-3:S-2:	S(C[5]C[5]S[5])(SC[5])	C[5](C[5]S[5]S)(S[5]C[5])(SS)	S(C[5]C[5]S[5])(SC[5])	S(C[5]C[5]S[5])(SC[5])	C[5](C[5]S[5]S)(S[5]C[5])(SS){1|S<1>}	S(C[5]C[5]S[5])(SC[5])	101.7600	0.000	1	101.7600	0.000	1	101.7600	0.000	1	101.7600	0.000	1	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	C[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]C[5]N[5])(SC[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(SS)	S(C[5]C[5]N[5])(SC[5])	S(C[5]C[5]N[5])(SC[5])	C[5](C[5]N[5]H)(N[5]C[5]C)(SS){1|C<4>,1|S<1>}	S(C[5]C[5]N[5])(SC[5])	104.8350	0.000	1	104.8350	0.000	1	104.8350	0.000	1	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]C)2(SS)	S(C[5]N[5]2)(SC[5])	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]C)2(SS){2|H<1>}	S(C[5]N[5]2)(SC[5])	100.9595	1.115	2	100.9595	1.243	2	102.0091	1.448	10	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SS)	S(C[5]N[5]2)(SC[5])	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]Cu)(N[5]C[5]C)(SS){2|H<1>}	S(C[5]N[5]2)(SC[5])	102.6815	0.305	2	102.6815	0.093	2	102.0091	1.448	10	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SS)	S(C[5]N[5]2)(SC[5])	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SS){2|H<1>}	S(C[5]N[5]2)(SC[5])	102.9035	1.752	2	102.9035	3.068	2	102.0091	1.448	10	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]Co)(SS)	S(C[5]N[5]2)(SC[5])	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[6a]C[5])(N[5]C[5]Co)(SS){2|C<3>,2|H<1>}	S(C[5]N[5]2)(SC[5])	100.8155	0.183	2	100.8155	0.034	2	102.0091	1.448	10	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5]-3:S-2:	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[6a]C[5])2(SS)	S(C[5]N[5]2)(SC[5])	S(C[5]N[5]2)(SC[5])	C[5](N[5]C[6a]C[5])2(SS){1|B<4>,1|H<1>,4|C<3>}	S(C[5]N[5]2)(SC[5])	102.6855	0.354	2	102.6855	0.126	2	102.0091	1.448	10	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	3:3:2:	3:2:	C[5]-3:S-2:	N[5]-3:N[5]-3:S-2:	C[5a]-3:S-2:	S(C[5]N[5]2)(SC[5a])	C[5](N[5]C[5]C)(N[5]C[5]H)(SS)	S(C[5a]N[5a]2)(SC[5])	S(C[5]N[5]2)(SC[5a])	C[5](N[5]C[5]C)(N[5]C[5]H)(SS){2|H<1>}	S(C[5a]N[5a]2)(SC[5])	102.0605	0.124	2	102.0605	0.015	2	102.0605	0.015	2	102.2344	1.698	13	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	4:2:2:	3:2:	C[5]-3:S-2:	C[5,6]-4:N[5]-2:S-2:	C[5]-3:S-2:	S(C[5]C[5,6]N[5])(SC[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5])(SS)	S(C[5]C[5,6]N[5])(SC[5])	S(C[5]C[5,6]N[5])(SC[5])	C[5](C[5,6]C[5]C[6]2)(N[5]C[5,5])(SS){1|H<1>,2|N<3>,2|O<1>,3|C<3>}	S(C[5]C[5,6]N[5])(SC[5])	104.0590	0.868	2	104.0590	0.754	2	104.0590	0.754	2	104.0590	0.754	2	102.5059	1.803	17	102.5059	1.803	17
909	818	909	0:SP2_SP2_SP2	S	C[5]	S	3:2:	4:3:2:	3:2:	C[5]-3:S-2:	Si[5]-4:C[5]-3:S-2:	C[5]-3:S-2:	S(C[5]Si[5]C[5])(SC[5])	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS)	S(C[5]Si[5]C[5])(SC[5])	S(C[5]Si[5]C[5])(SC[5])	C[5](Si[5]C[5,5a]CC)(C[5]C[5,5a]C)(SS){2|C<3>}	S(C[5]Si[5]C[5])(SC[5])	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	103.6750	0.000	1	102.5059	1.803	17	102.5059	1.803	17
909	818	924	0:SP2_SP-NON_SP2	S	C[5]	Br	3:1:	2:2:2:	2:	C[5]-3:Br-1:	S[5]-2:S[5]-2:S-2:	S-2:	S(C[5]S[5]2)(Br)	C[5](S[5]C[5])2(SBr)	Br(SC[5])	S(C[5]S[5]2)(Br)	C[5](S[5]C[5])2(SBr){2|S<2>}	Br(SC[5])	94.7229	0.000	1	94.7229	0.000	1	94.7229	0.000	1	94.7229	0.000	1	98.5208	10.008	4	98.5208	10.008	4
909	818	924	0:SP2_SP-NON_SP2	S	C[5]	Br	3:1:	3:2:2:	2:	C[5]-3:Br-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(Br)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr)	Br(SC[5])	S(C[5]N[5]S[5])(Br)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SBr){2|C<3>}	Br(SC[5])	99.0101	2.678	2	99.0101	7.174	2	99.7867	5.396	3	99.7867	5.396	3	98.5208	10.008	4	98.5208	10.008	4
909	818	924	0:SP2_SP-NON_SP2	S	C[5]	Br	3:1:	3:2:2:	2:	C[5]-3:Br-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(Br)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SBr)	Br(SC[5])	S(C[5]N[5]S[5])(Br)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SBr){2|C<3>}	Br(SC[5])	101.3400	0.000	1	101.3400	0.000	1	99.7867	5.396	3	99.7867	5.396	3	98.5208	10.008	4	98.5208	10.008	4
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	2:2:2:	2:3:1:	C[5]-3:C-3:	N[5]-2:S[5]-2:S-2:	S-2:C-3:H-1:	S(C[5]N[5]S[5])(CCH)	C[5](N[5]C[5])(S[5]C[5])(SC)	C(SC[5])(CCH)(H)	S(C[5]N[5]S[5])(CCH)	C[5](N[5]C[5])(S[5]C[5])(SC){1|C<3>,1|O<1>}	C(SC[5])(CCH)(H)	99.9693	0.000	1	99.9693	0.000	1	99.9693	0.000	1	99.9693	0.000	1	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	2:2:2:	2:4:3:	C[5]-3:C-3:	N[5]-2:N[5]-2:S-2:	S-2:C-4:C-3:	S(C[5]N[5]2)(CCC)	C[5](N[5]C[5,6a])2(SC)	C(SC[5])(CCHH)(CBrH)	S(C[5]N[5]2)(CCC)	C[5](N[5]C[5,6a])2(SC){2|C<3>}	C(SC[5])(CCHH)(CBrH)	103.9750	0.000	1	103.9750	0.000	1	103.9750	0.000	1	103.9750	0.000	1	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	2:3:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	S-2:C-3:H-1:	S(C[5]C[5]S[5])(CCH)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CCH)(H)	S(C[5]C[5]S[5])(CCH)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|C<3>}	C(SC[5])(CCH)(H)	99.9458	0.000	1	99.9458	0.000	1	99.9458	0.000	1	99.9458	0.000	1	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	2:3:3:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	S-2:C-3:C-3:	S(C[5]C[5]S[5])(CCC)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CCO)2	S(C[5]C[5]S[5])(CCC)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|C<3>}	C(SC[5])(CCO)2	104.0653	0.247	3	103.4756	1.328	5	103.4756	1.328	5	103.4756	1.328	5	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	2:3:3:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	S-2:C-3:C-3:	S(C[5]C[5]S[5])(CCC)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CCO)2	S(C[5]C[5]S[5])(CCC)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|S<1>}	C(SC[5])(CCO)2	102.5910	1.607	2	103.4756	1.328	5	103.4756	1.328	5	103.4756	1.328	5	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	2:4:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	S-2:C-4:O-1:	S(C[5]C[5]S[5])(CCO)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CC3)(O)	S(C[5]C[5]S[5])(CCO)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|S<1>}	C(SC[5])(CC3)(O)	102.9550	0.000	1	102.9550	0.000	1	102.9550	0.000	1	102.9550	0.000	1	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	C[5a]-3:S-2:O-1:	S(C[5]C[5]S[5])(CC[5a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(C[5a]C[5a]O[5a])(SC[5])(O)	S(C[5]C[5]S[5])(CC[5a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|S<1>}	C(C[5a]C[5a]O[5a])(SC[5])(O)	102.7070	0.000	1	102.7070	0.000	1	102.7070	0.000	1	101.2585	2.926	7	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	C[6a]-3:S-2:O-1:	S(C[5]C[5]S[5])(CC[6a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(C[6a]C[6a]2)(SC[5])(O)	S(C[5]C[5]S[5])(CC[6a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|S<1>}	C(C[6a]C[6a]2)(SC[5])(O)	100.7603	1.980	4	101.0170	3.022	6	101.0170	3.022	6	101.2585	2.926	7	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:2:2:	3:2:1:	C[5]-3:C-3:	C[5]-3:S[5]-2:S-2:	C[6a]-3:S-2:O-1:	S(C[5]C[5]S[5])(CC[6a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(C[6a]C[6a]2)(SC[5])(O)	S(C[5]C[5]S[5])(CC[6a]O)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|S<2>}	C(C[6a]C[6a]2)(SC[5])(O)	101.5305	1.600	2	101.0170	3.022	6	101.0170	3.022	6	101.2585	2.926	7	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:3:2:	2:2:2:	C[5]-3:C-3:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:	S(C[5]N[5]2)(CSS)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SC)	C(SC[5])3	S(C[5]N[5]2)(CSS)	C[5](N[5]C[5]Zn)(N[5]C[5]C)(SC){2|H<1>}	C(SC[5])3	102.4180	0.575	24	102.4180	0.330	24	102.4180	0.330	24	102.4180	0.330	24	102.2666	1.491	41	102.2666	1.491	41
909	818	930	0:SP2_SP2_SP2	S	C[5]	C	3:3:	3:3:2:	2:3:2:	C[5]-3:C-3:	C[5,6a]-3:C[5]-3:S-2:	S-2:N-3:N-2:	S(C[5]C[5,6a]C[5])(CNN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC)	C(SC[5])(NHH)(NH)	S(C[5]C[5,6a]C[5])(CNN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(SC){1|H<1>,2|C<3>}	C(SC[5])(NHH)(NH)	101.8670	0.000	1	101.8670	0.000	1	101.8670	0.000	1	101.8670	0.000	1	102.2666	1.491	41	102.2666	1.491	41
909	818	940	0:SP2_SP-NON_SP2	S	C[5]	P	3:2:	3:3:2:	2:2:	C[5]-3:P-2:	N[5]-3:N[5]-3:S-2:	N-2:S-2:	S(C[5]N[5]2)(PN)	C[5](N[5]C[5]C)2(SP)	P(NC[6a])(SC[5])	S(C[5]N[5]2)(PN)	C[5](N[5]C[5]C)2(SP){2|C<4>}	P(NC[6a])(SC[5])	91.7814	0.000	1	91.7814	0.000	1	91.7814	0.000	1	91.7814	0.000	1	91.7814	0.000	1	91.7814	0.000	1
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	2:2:2:	2:	C[5]-3:I-1:	S[5]-2:S[5]-2:S-2:	S-2:	S(C[5]S[5]2)(I)	C[5](S[5]C[5])2(SI)	I(SC[5])	S(C[5]S[5]2)(I)	C[5](S[5]C[5])2(SI){2|C<3>}	I(SC[5])	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	104.4420	0.000	1	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:2:2:	2:	C[5]-3:I-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI)	I(SC[5])	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5,6a]C)(S[5]C[5,6a])(SI){2|C<3>}	I(SC[5])	101.6275	1.774	2	101.6275	3.148	2	103.4586	2.780	8	103.4586	2.780	8	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:2:2:	2:	C[5]-3:I-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SI)	I(SC[5])	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5,6a]H)(S[5]C[5,6a])(SI){2|C<3>}	I(SC[5])	104.4415	0.036	2	104.4415	0.001	2	103.4586	2.780	8	103.4586	2.780	8	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:2:2:	2:	C[5]-3:I-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5]C)(S[5]C[5])(SI)	I(SC[5])	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5]C)(S[5]C[5])(SI){4|H<1>}	I(SC[5])	104.5910	0.684	3	104.5910	0.468	3	103.4586	2.780	8	103.4586	2.780	8	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:2:2:	2:	C[5]-3:I-1:	N[5]-3:S[5]-2:S-2:	S-2:	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5]H)(S[5]C[5])(SI)	I(SC[5])	S(C[5]N[5]S[5])(I)	C[5](N[5]C[5]H)(S[5]C[5])(SI){3|H<1>}	I(SC[5])	101.7580	0.000	1	101.7580	0.000	1	103.4586	2.780	8	103.4586	2.780	8	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:3:2:	2:	C[5]-3:I-1:	N[5]-3:N[5]-3:S-2:	S-2:	S(C[5]N[5]2)(I)	C[5](N[5]C[5,6a]C)2(SI)	I(SC[5])	S(C[5]N[5]2)(I)	C[5](N[5]C[5,6a]C)2(SI){2|C<3>}	I(SC[5])	102.7710	0.000	1	102.7710	0.000	1	103.4447	0.701	3	103.4447	0.701	3	103.5371	1.978	12	103.5371	1.978	12
909	818	944	0:SP2_SP-NON_SP2	S	C[5]	I	3:1:	3:3:2:	2:	C[5]-3:I-1:	N[5]-3:N[5]-3:S-2:	S-2:	S(C[5]N[5]2)(I)	C[5](N[5]C[6a]C[5])2(SI)	I(SC[5])	S(C[5]N[5]2)(I)	C[5](N[5]C[6a]C[5])2(SI){2|H<1>,4|C<3>}	I(SC[5])	103.7815	0.849	2	103.7815	0.721	2	103.4447	0.701	3	103.4447	0.701	3	103.5371	1.978	12	103.5371	1.978	12
909	818	951	0:SP2_SP-NON_SP2	S	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	C[5]-3:C[5]-3:S-2:	S-2:	S(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(SH)	H(SC[5])	S(C[5]C[5]2)(H)	C[5](C[5]C[5]C)2(SH){2|C<3>}	H(SC[5])	101.2339	7.138	3	101.2339	50.957	3	101.2339	50.957	3	96.2920	53.149	6	96.2920	53.149	6	96.2920	53.149	6
909	818	951	0:SP2_SP-NON_SP2	S	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:S-2:	S-2:	S(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(SH)	H(SC[5])	S(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(SH){1|B<4>,1|H<1>,4|C<3>}	H(SC[5])	94.4316	0.000	1	91.3500	8.649	3	91.3500	8.649	3	96.2920	53.149	6	96.2920	53.149	6	96.2920	53.149	6
909	818	951	0:SP2_SP-NON_SP2	S	C[5]	H	3:1:	3:3:2:	2:	C[5]-3:H-1:	N[5]-3:N[5]-3:S-2:	S-2:	S(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(SH)	H(SC[5])	S(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(SH){4|C<3>,4|H<1>}	H(SC[5])	89.8092	1.747	2	91.3500	8.649	3	91.3500	8.649	3	96.2920	53.149	6	96.2920	53.149	6	96.2920	53.149	6
909	818	953	0:SP2_SP-NON_SP2	S	C[5]	I	3:2:	2:2:2:	2:1:	C[5]-3:I-2:	S[5]-2:S[5]-2:S-2:	S-2:Br-1:	S(C[5]S[5]2)(IBr)	C[5](S[5]C[5])2(SI)	I(SC[5])(Br)	S(C[5]S[5]2)(IBr)	C[5](S[5]C[5])2(SI){2|S<2>}	I(SC[5])(Br)	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1	105.4890	0.000	1
909	818	956	0:SP2_SP2_SP2	S	C[5]	N	3:3:	3:2:2:	2:3:3:	C[5]-3:N-3:	N[5]-3:N[5]-2:S-2:	S-2:C-3:N-3:	S(C[5]N[5]2)(NCN)	C[5](N[5]N[5]C)(N[5]C[5])(SN)	N(SC[5])(COO)(NCH)	S(C[5]N[5]2)(NCN)	C[5](N[5]N[5]C)(N[5]C[5])(SN){3|C<3>}	N(SC[5])(COO)(NCH)	97.2198	0.000	1	97.2198	0.000	1	97.2198	0.000	1	97.2198	0.000	1	97.2198	0.000	1	97.2198	0.000	1
909	818	969	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:3:	3:3:2:	2:2:1:	C[5]-3:Ga-3:	N[5]-3:N[5]-3:S-2:	S-2:S-2:I-1:	S(C[5]N[5]2)(GaIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])2(I)	S(C[5]N[5]2)(GaIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])2(I)	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1	103.3080	0.000	1
909	818	983	0:SP2_SP1_SP2	S	C[5]	C	3:2:	3:2:2:	2:2:	C[5]-3:C-2:	C[5]-3:S[5]-2:S-2:	S-2:C-2:	S(C[5]C[5]S[5])(CC)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CC)	S(C[5]C[5]S[5])(CC)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|C<3>}	C(SC[5])(CC)	103.2509	1.740	12	103.2509	3.028	12	103.2509	3.028	12	103.2509	3.028	12	103.0904	3.111	13	103.0904	3.111	13
909	818	983	0:SP2_SP1_SP2	S	C[5]	C	3:2:	3:2:2:	2:3:	C[5]-3:C-2:	C[5]-3:S[5]-2:S-2:	S-2:C-3:	S(C[5]C[5]S[5])(CC)	C[5](C[5]S[5]S)(S[5]C[5])(SC)	C(SC[5])(CNO)	S(C[5]C[5]S[5])(CC)	C[5](C[5]S[5]S)(S[5]C[5])(SC){1|C<3>}	C(SC[5])(CNO)	101.1640	0.000	1	101.1640	0.000	1	101.1640	0.000	1	101.1640	0.000	1	103.0904	3.111	13	103.0904	3.111	13
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:1:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:Br-1:Br-1:	S(C[5]N[5]2)(GaBr2S)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])2(Br)2	S(C[5]N[5]2)(GaBr2S)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])2(Br)2	96.5322	2.319	2	96.5322	5.378	2	96.5322	5.378	2	97.8796	4.940	6	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:1:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:Cl-1:Cl-1:	S(C[5]N[5]2)(GaCl2S)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])2(Cl)2	S(C[5]N[5]2)(GaCl2S)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])2(Cl)2	97.2981	2.503	2	97.2981	6.267	2	97.2981	6.267	2	97.8796	4.940	6	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:1:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:I-1:I-1:	S(C[5]N[5]2)(GaIIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])2(I)2	S(C[5]N[5]2)(GaIIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])2(I)2	99.8086	1.142	2	99.8086	1.304	2	99.8086	1.304	2	97.8796	4.940	6	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:2:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:Cl-1:	S(C[5]N[5]2)(GaClSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])3(Cl)	S(C[5]N[5]2)(GaClSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])3(Cl)	96.9531	1.199	9	96.9531	1.437	9	96.9531	1.437	9	96.8657	1.376	12	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:2:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:I-1:	S(C[5]N[5]2)(GaISS)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa)	Ga(SC[5])3(I)	S(C[5]N[5]2)(GaISS)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa){2|H<1>,3|C<4>}	Ga(SC[5])3(I)	96.6035	1.296	3	96.6035	1.680	3	96.6035	1.680	3	96.8657	1.376	12	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:2:2:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:S-2:	S(C[5]N[5]2)(GaS3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])3(SGa)	S(C[5]N[5]2)(GaS3)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])3(SGa)	98.0010	2.675	2	98.0010	7.157	2	98.0010	7.157	2	98.0010	7.157	2	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:2:4:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:Ga-4:	S(C[5]N[5]2)(GaGaSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])3(GaI3)	S(C[5]N[5]2)(GaGaSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])3(GaI3)	98.9397	1.413	3	98.9397	1.996	3	99.1082	0.982	7	99.1082	0.982	7	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	2:2:2:4:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	S-2:S-2:S-2:Ga-4:	S(C[5]N[5]2)(GaGaSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(SC[5])3(GaS3)	S(C[5]N[5]2)(GaGaSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(SC[5])3(GaS3)	99.2346	0.764	4	99.2346	0.583	4	99.1082	0.982	7	99.1082	0.982	7	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	4:2:2:1:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	Ga-4:S-2:S-2:I-1:	S(C[5]N[5]2)(GaGaIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(GaISS)(SC[5])2(I)	S(C[5]N[5]2)(GaGaIS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(GaISS)(SC[5])2(I)	102.6480	2.237	3	102.6480	5.002	3	102.6480	5.002	3	102.6480	5.002	3	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	4:2:2:2:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	B-4:S-2:S-2:S-2:	S(C[5]N[5]2)(GaBSS)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa)	Ga(BC[6a]3)(SC[5])3	S(C[5]N[5]2)(GaBSS)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa){2|H<1>,3|C<4>}	Ga(BC[6a]3)(SC[5])3	102.4393	0.380	3	102.4393	0.145	3	102.4326	0.073	5	102.4326	0.073	5	98.8438	6.630	35	98.8438	6.630	35
909	818	984	0:SP2_SP-NON_SP2	S	C[5]	Ga	3:4:	3:3:2:	4:2:2:2:	C[5]-3:Ga-4:	N[5]-3:N[5]-3:S-2:	B-4:S-2:S-2:S-2:	S(C[5]N[5]2)(GaBSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa)	Ga(BC[6a]3)(SC[5])3	S(C[5]N[5]2)(GaBSS)	C[5](N[5]C[5]B)(N[5]C[5]C)(SGa){2|H<1>}	Ga(BC[6a]3)(SC[5])3	102.4225	0.019	2	102.4225	0.000	2	102.4326	0.073	5	102.4326	0.073	5	98.8438	6.630	35	98.8438	6.630	35
909	818	992	0:SP2_SP2_SP3	S	C[5]	P	3:4:	3:3:2:	3:3:2:1:	C[5]-3:P-4:	C[5]-3:C[5]-3:S-2:	C[6a]-3:C[6a]-3:S-2:S-1:	S(C[5]C[5]2)(PC[6a]2S)	C[5](C[5]C[5]C)(C[5]N[5]C)(SP)	P(C[6a]C[6a]2)2(SC[5])(S)	S(C[5]C[5]2)(PC[6a]2S)	C[5](C[5]C[5]C)(C[5]N[5]C)(SP){1|H<1>}	P(C[6a]C[6a]2)2(SC[5])(S)	103.0850	0.000	1	103.0850	0.000	1	103.0850	0.000	1	103.0850	0.000	1	103.0850	0.000	1	103.0850	0.000	1
909	849	880	0:SP3_SP3_SP3	S	P[6]	Si	4:4:	3:2:2:1:	2:4:4:3:	P[6]-4:Si-4:	C[6,6]-3:S[6]-2:S-2:S-1:	S-2:C-4:C-4:C-3:	S(P[6]C[6,6]S[6]S)(SiC3)	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S)	Si(SP[6])(CH3)2(CHH)	S(P[6]C[6,6]S[6]S)(SiC3)	P[6](C[6,6]C[6,6,6a]C[6])(S[6]P[6])(SSi)(S){1|N<3>,1|S<1>,3|C<3>}	Si(SP[6])(CH3)2(CHH)	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1
909	849	951	0:SP3_SP-NON_SP3	S	P[6]	H	4:1:	2:2:2:1:	2:	P[6]-4:H-1:	O[6]-2:O[6]-2:S-2:S-1:	S-2:	S(P[6]O[6]2S)(H)	P[6](O[6]C[6])2(SH)(S)	H(SP[6])	S(P[6]O[6]2S)(H)	P[6](O[6]C[6])2(SH)(S){2|C<4>,3|H<1>}	H(SP[6])	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1	109.4580	0.000	1
909	856	856	0:SP3_SP2_SP2	S	N[6]	N[6]	3:3:	3:3:2:	3:3:2:	N[6]-3:N[6]-3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	S(N[6]C[6]2)2	N[6](C[6]C[6]H)2(SN[6])	N[6](C[6]C[6]H)2(SN[6])	S(N[6]C[6]2)2	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)2(SN[6]){1|C<3>,2|H<1>}	100.6930	0.533	2	100.6930	0.284	2	100.6930	0.284	2	100.6930	0.284	2	100.6930	0.284	2	100.6930	0.284	2
909	863	863	0:SP2_SP2_SP2	S	O	O	1:1:	2:	2:	O-1:O-1:	S-2:	S-2:	S(O)2	O(SO)	O(SO)	S(O)2	O(SO)	O(SO)	117.2455	2.445	11	117.2455	5.978	11	117.2455	5.978	11	117.2455	5.978	11	117.2455	5.978	11	117.2455	5.978	11
909	863	893	0:SP2_SP2_SP2	S	O	O	2:1:	2:	4:2:	O-2:O-1:	S-2:	B-4:S-2:	S(OB)(O)	O(SO)	O(BC[6a]2C)(SO)	S(OB)(O)	O(SO)	O(BC[6a]2C)(SO)	111.9755	0.394	2	111.9755	0.155	2	111.9755	0.155	2	111.9755	0.155	2	111.9755	0.155	2	111.9755	0.155	2
909	863	930	0:SP2_SP2_SP2	S	O	C	3:1:	2:	3:3:2:	C-3:O-1:	S-2:	C[6a]-3:N-3:S-2:	S(CC[6a]N)(O)	O(SC)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	S(CC[6a]N)(O)	O(SC)	C(C[6a]C[6a,6a]C[6a])(NCH)(SO)	108.9990	0.896	3	108.9990	0.803	3	107.8014	3.149	5	107.8014	3.149	5	107.8014	3.149	5	107.8014	3.149	5
909	863	930	0:SP2_SP2_SP2	S	O	C	3:1:	2:	3:3:2:	C-3:O-1:	S-2:	C[6a]-3:N-3:S-2:	S(CC[6a]N)(O)	O(SC)	C(C[6a]C[6a]2)(NHH)(SO)	S(CC[6a]N)(O)	O(SC)	C(C[6a]C[6a]2)(NHH)(SO)	106.0050	0.482	2	106.0050	0.233	2	107.8014	3.149	5	107.8014	3.149	5	107.8014	3.149	5	107.8014	3.149	5
909	863	941	0:SP2_SP2_SP2	S	O	N	2:1:	2:	2:2:	N-2:O-1:	S-2:	S-2:S-2:	S(NS)(O)	O(SN)	N(SC[6a])(SO)	S(NS)(O)	O(SN)	N(SC[6a])(SO)	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1	117.8030	0.000	1
909	878	930	0:SP2_SP-NON_SP2	S	Ga[4]	C	4:3:	2:2:2:2:	2:2:1:	Ga[4]-4:C-3:	S[4]-2:S[4]-2:S-2:S-2:	S-2:O-2:S-1:	S(Ga[4]S[4]2S)(COS)	Ga[4](S[4]C[4])2(SC)2	C(SGa[4])(OC)(S)	S(Ga[4]S[4]2S)(COS)	Ga[4](S[4]C[4])2(SC)2{1|O<2>}	C(SGa[4])(OC)(S)	84.3350	0.473	2	84.3350	0.224	2	84.3350	0.224	2	84.3350	0.224	2	94.5339	115.229	5	94.5339	115.229	5
909	878	930	0:SP2_SP-NON_SP2	S	Ga[4]	C	4:3:	2:2:2:2:	3:2:1:	Ga[4]-4:C-3:	S[4]-2:S[4]-2:S-2:S-2:	C[5]-3:S-2:S-1:	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SC)2	C(C[5]C[5]2)(SGa[4])(S)	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SC)2{1|C<3>}	C(C[5]C[5]2)(SGa[4])(S)	98.7747	8.643	2	98.7747	74.697	2	98.7747	74.697	2	98.7747	74.697	2	94.5339	115.229	5	94.5339	115.229	5
909	878	930	0:SP2_SP-NON_SP2	S	Ga[4]	C	4:3:	2:2:3:2:	3:2:2:	Ga[4]-4:C-3:	S[4]-2:S[4]-2:S-3:S-2:	C[5]-3:S-2:S-2:	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SCuC)(SC)	C(C[5]C[5]2)(SGa[4])(SCu)	S(Ga[4]S[4]2S)(CC[5]S)	Ga[4](S[4]C[4])2(SCuC)(SC){1|C<3>}	C(C[5]C[5]2)(SGa[4])(SCu)	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	106.4500	0.000	1	94.5339	115.229	5	94.5339	115.229	5
909	880	880	0:SP3_SP3_SP3	S	Si	Si	4:4:	4:4:4:2:	4:4:4:2:	Si-4:Si-4:	C-4:C-4:C-4:S-2:	C-4:C-4:C-4:S-2:	S(SiC3)2	Si(CH3)3(SSi)	Si(CH3)3(SSi)	S(SiC3)2	Si(CH3)3(SSi)	Si(CH3)3(SSi)	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1	108.5320	0.000	1
909	880	951	0:SP3_SP-NON_SP3	S	Si	H	4:1:	2:2:2:2:	2:	Si-4:H-1:	O-2:O-2:O-2:S-2:	S-2:	S(SiO3)(H)	Si(OC[6a])3(SH)	H(SSi)	S(SiO3)(H)	Si(OC[6a])3(SH)	H(SSi)	94.0759	0.000	1	94.0759	0.000	1	94.0759	0.000	1	94.0759	0.000	1	94.0759	0.000	1	94.0759	0.000	1
909	885	885	0:SP3_SP-NON_SP-NON	S	Ga[5,5]	Ga[5,5]	4:4:	4:2:2:2:	4:2:2:2:	Ga[5,5]-4:Ga[5,5]-4:	P[5,5]-4:S[5]-2:S[5]-2:S-2:	P[5,5]-4:S[5]-2:S[5]-2:S-2:	S(Ga[5,5]P[5,5]S[5]2)2	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(SGa[5,5])	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(SGa[5,5])	S(Ga[5,5]P[5,5]S[5]2)2	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(SGa[5,5]){6|C<3>}	Ga[5,5](P[5,5]C[5,6a]2C[6a])(S[5]C[5,6a])2(SGa[5,5]){6|C<3>}	98.2401	0.000	1	98.2401	0.000	1	98.2401	0.000	1	98.2401	0.000	1	98.2401	0.000	1	98.2401	0.000	1
909	893	909	0:SP3_SP3_SP3	S	O	S	2:2:	4:2:	2:2:	O-2:S-2:	C-4:S-2:	O-2:S-2:	S(OC)(SO)	O(CC[6a]HH)(SS)	S(OC)(SO)	S(OC)(SO)	O(CC[6a]HH)(SS)	S(OC)(SO)	108.3552	0.474	4	108.3552	0.224	4	108.3552	0.224	4	108.3552	0.224	4	108.3552	0.224	4	108.3552	0.224	4
909	893	956	0:SP3_SP2_SP3	S	O	N	3:2:	4:2:	3:3:2:	N-3:O-2:	C-4:S-2:	C-3:N-3:S-2:	S(NCN)(OC)	O(CC3)(SN)	N(CC[6a]O)(NCC)(SO)	S(NCN)(OC)	O(CC3)(SN)	N(CC[6a]O)(NCC)(SO)	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1	106.7500	0.000	1
909	902	902	0:SP2_SP2_SP2	S	C[3]	C[3]	3:3:	3:3:2:	3:3:2:	C[3]-3:C[3]-3:	C[3]-3:C[3]-3:S-2:	C[3]-3:C[3]-3:S-2:	S(C[3]C[3]2)2	C[3](C[3]C[3]N)2(SC[3])	C[3](C[3]C[3]N)2(SC[3])	S(C[3]C[3]2)2	C[3](C[3]C[3]N)2(SC[3])	C[3](C[3]C[3]N)2(SC[3])	100.1390	0.000	1	100.1390	0.000	1	100.1390	0.000	1	100.1390	0.000	1	100.1390	0.000	1	100.1390	0.000	1
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC)(SS)	S(SS)2	S(SS)2	S(SC)(SS)	S(SS)2	107.9720	0.000	1	107.9720	0.000	1	104.9421	2.223	8	104.9421	2.223	8	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	104.5093	0.919	7	104.5093	0.844	7	104.9421	2.223	8	104.9421	2.223	8	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C-3:S-2:	S-2:S-2:	S(SC)(SS)	S(CCC)(SS)	S(SC)(SS)	S(SC)(SS)	S(CCC)(SS)	S(SC)(SS)	109.9425	1.889	2	109.9425	3.567	2	109.4603	2.481	3	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C-3:S-2:	S-2:S-2:	S(SC)(SS)	S(CCS)(SS)	S(SS)2	S(SC)(SS)	S(CCS)(SS)	S(SS)2	108.4960	0.000	1	108.4960	0.000	1	109.4603	2.481	3	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a,6a]C[5a])(SS)	S(SS)2	S(SC[5a])(SS)	S(C[5a]C[5a,6a]C[5a])(SS)	S(SS)2	103.9020	0.000	1	103.9020	0.000	1	104.5143	0.209	16	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	104.5361	0.429	13	104.5361	0.184	13	104.5143	0.209	16	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a]N[5a])(SS)	S(SC[5a])(SS)	S(SC[5a])(SS)	S(C[5a]C[5a]N[5a])(SS)	S(SC[5a])(SS)	104.6785	0.701	2	104.6785	0.491	2	104.5143	0.209	16	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[6a]-3:S-2:	S-2:S-2:	S(SC[6a])(SS)	S(C[6a]C[6a]2)(SS)	S(SC[6a])(SS)	S(SC[6a])(SS)	S(C[6a]C[6a]2)(SS)	S(SC[6a])(SS)	106.9445	0.066	2	106.9445	0.004	2	106.9445	0.004	2	105.4523	3.741	21	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	3:2:	S-2:S-2:	C[5a]-3:S-2:	C-3:S-2:	S(SC[5a])(SC)	S(C[5a]C[5a]2)(SS)	S(CCN)(SS)	S(SC[5a])(SC)	S(C[5a]C[5a]2)(SS)	S(CCN)(SS)	102.9270	0.000	1	102.9270	0.000	1	102.9270	0.000	1	106.0875	10.896	4	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	3:2:	3:2:	S-2:S-2:	C[6a]-3:S-2:	C[6a]-3:S-2:	S(SC[6a])2	S(C[6a]C[6a]2)(SS)	S(C[6a]C[6a]2)(SS)	S(SC[6a])2	S(C[6a]C[6a]2)(SS)	S(C[6a]C[6a]2)(SS)	107.1410	3.112	3	107.1410	9.685	3	107.1410	9.685	3	106.0875	10.896	4	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP2	S	S	S	2:2:	4:2:	3:2:	S-2:S-2:	C[6]-4:S-2:	C[5a]-3:S-2:	S(SC[5a])(SC[6])	S(C[6]C[5a,6]N[6]C)(SS)	S(C[5a]C[5a]2)(SS)	S(SC[5a])(SC[6])	S(C[6]C[5a,6]N[6]C)(SS)	S(C[5a]C[5a]2)(SS)	103.0440	0.000	1	103.0440	0.000	1	103.0440	0.000	1	103.0440	0.000	1	105.3361	4.003	34	105.3361	4.003	34
909	909	909	0:SP2_SP2_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	104.2900	0.000	1	104.2900	0.000	1	105.9975	5.831	2	105.9975	5.831	2	105.5033	3.648	3	105.5033	3.648	3
909	909	909	0:SP2_SP2_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SS)2	S(SS)2	S(SS)2	S(SS)2	S(SS)2	107.7050	0.000	1	107.7050	0.000	1	105.9975	5.831	2	105.9975	5.831	2	105.5033	3.648	3	105.5033	3.648	3
909	909	909	0:SP2_SP2_SP3	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	104.5150	0.000	1	105.5033	3.648	3	105.5033	3.648	3
909	909	909	0:SP3_SP2_SP2	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	N-2:S-2:	N-2:S-2:	S(SN)2	S(NC)(SS)	S(NC)(SS)	S(SN)2	S(NC)(SS)	S(NC)(SS)	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	110.1310	0.000	1	106.0923	9.658	4	106.0923	9.658	4
909	909	909	0:SP3_SP2_SP2	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	103.9400	0.000	1	103.9400	0.000	1	103.9400	0.000	1	103.9400	0.000	1	106.0923	9.658	4	106.0923	9.658	4
909	909	909	0:SP3_SP2_SP2	S	S	S	2:2:	3:2:	3:2:	S-2:S-2:	C[6a]-3:S-2:	C[6a]-3:S-2:	S(SC[6a])2	S(C[6a]C[6a]2)(SS)	S(C[6a]C[6a]2)(SS)	S(SC[6a])2	S(C[6a]C[6a]2)(SS)	S(C[6a]C[6a]2)(SS)	105.1490	2.500	2	105.1490	6.252	2	105.1490	6.252	2	105.1490	6.252	2	106.0923	9.658	4	106.0923	9.658	4
909	909	909	0:SP3_SP2_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC)(SS)	S(SS)2	S(SS)2	S(SC)(SS)	S(SS)2	108.3420	0.000	1	108.3420	0.000	1	106.4640	7.054	2	106.4640	7.054	2	106.3770	5.478	4	106.3770	5.478	4
909	909	909	0:SP3_SP2_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	S(SS)2	S(SC[5a])(SS)	S(SC[5a])(SS)	104.5860	0.000	1	104.5860	0.000	1	106.4640	7.054	2	106.4640	7.054	2	106.3770	5.478	4	106.3770	5.478	4
909	909	909	0:SP3_SP2_SP3	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C-3:S-2:	S-2:S-2:	S(SC)(SS)	S(CCS)(SS)	S(SS)2	S(SC)(SS)	S(CCS)(SS)	S(SS)2	108.4520	0.000	1	108.4520	0.000	1	108.4520	0.000	1	106.2900	9.348	2	106.3770	5.478	4	106.3770	5.478	4
909	909	909	0:SP3_SP2_SP3	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	C[5a]-3:S-2:	S-2:S-2:	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	S(SC[5a])(SS)	S(C[5a]C[5a]2)(SS)	S(SS)2	104.1280	0.000	1	104.1280	0.000	1	104.1280	0.000	1	106.2900	9.348	2	106.3770	5.478	4	106.3770	5.478	4
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:1:	2:2:	S-2:S-2:	S-2:S-1:	S-2:S-2:	S(SS)2	S(SS)(S)	S(SS)2	S(SS)2	S(SS)(S)	S(SS)2	108.8077	2.158	3	108.8077	4.657	3	108.8077	4.657	3	108.8077	4.657	3	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SC[4])(SS)	S(SS)2	S(SS)2	S(SC[4])(SS)	S(SS)2	106.3790	0.000	1	106.3790	0.000	1	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SFe)(SS)	S(SFe)(SS)	S(SS)2	S(SFe)(SS)	S(SFe)(SS)	105.9555	0.766	2	105.9555	0.586	2	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SN)(SS)	S(SN)(SS)	S(SS)2	S(SN)(SS)	S(SN)(SS)	103.4980	0.000	1	103.4980	0.000	1	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SS)2	S(SS)2	S(SS)2	S(SS)2	S(SS)2	107.5327	1.118	93	107.5327	1.250	93	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SSb)(SS)	S(SSb)(SS)	S(SS)2	S(SSb)(SS)	S(SSb)(SS)	107.8600	0.631	2	107.8600	0.398	2	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	2:2:	2:2:	S-2:S-2:	S-2:S-2:	S-2:S-2:	S(SS)2	S(SZn)(SS)	S(SS)2	S(SS)2	S(SZn)(SS)	S(SS)2	108.4940	0.393	3	108.4940	0.155	3	107.4856	1.402	102	107.4856	1.402	102	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	3:2:	2:2:	S-2:S-2:	N-3:S-2:	S-2:S-2:	S(SN)(SS)	S(NCP)(SS)	S(SS)2	S(SN)(SS)	S(NCP)(SS)	S(SS)2	106.3070	0.782	2	106.3070	0.612	2	106.3070	0.612	2	106.3070	0.612	2	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	3:2:	3:2:	S-2:S-2:	N-3:S-2:	N-3:S-2:	S(SN)2	S(NC[6a]C)(SS)	S(NC[6a]C)(SS)	S(SN)2	S(NC[6a]C)(SS)	S(NC[6a]C)(SS)	105.7305	0.453	2	105.7305	0.205	2	105.7305	0.205	2	105.7305	0.205	2	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	2:2:	S-2:S-2:	C[4]-4:S-2:	S-2:S-2:	S(SC[4])(SS)	S(C[4]C[4]2Cl)(SS)	S(SC[4])(SS)	S(SC[4])(SS)	S(C[4]C[4]2Cl)(SS)	S(SC[4])(SS)	105.2330	0.085	2	105.2330	0.007	2	105.4887	0.200	3	104.4424	1.867	7	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	2:2:	S-2:S-2:	C[4]-4:S-2:	S-2:S-2:	S(SC[4])(SS)	S(C[4]C[4]2Cl)(SS)	S(SS)2	S(SC[4])(SS)	S(C[4]C[4]2Cl)(SS)	S(SS)2	106.0000	0.000	1	106.0000	0.000	1	105.4887	0.200	3	104.4424	1.867	7	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	2:2:	S-2:S-2:	C[5,6]-4:S-2:	S-2:S-2:	S(SC[5,6])(SS)	S(C[5,6]N[5,6]C[5]C[6])(SS)	S(SC[5,6])(SS)	S(SC[5,6])(SS)	S(C[5,6]N[5,6]C[5]C[6])(SS)	S(SC[5,6])(SS)	103.2355	0.825	2	103.2355	0.681	2	103.2355	0.681	2	104.4424	1.867	7	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	2:2:	S-2:S-2:	C[6]-4:S-2:	S-2:S-2:	S(SC[6])(SS)	S(C[6]C[6]N[6]C)(SS)	S(SC[6])(SS)	S(SC[6])(SS)	S(C[6]C[6]N[6]C)(SS)	S(SC[6])(SS)	104.0800	1.913	2	104.0800	3.661	2	104.0800	3.661	2	104.4424	1.867	7	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	C-4:S-2:	C-4:S-2:	S(SC)2	S(CC[6a]HH)(SS)	S(CC[6a]HH)(SS)	S(SC)2	S(CC[6a]HH)(SS)	S(CC[6a]HH)(SS)	106.5420	0.486	2	106.5420	0.237	2	106.5420	0.237	2	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	C[4]-4:S-2:	C[4]-4:S-2:	S(SC[4])2	S(C[4]C[4]2Cl)(SS)	S(C[4]C[4]2Cl)(SS)	S(SC[4])2	S(C[4]C[4]2Cl)(SS)	S(C[4]C[4]2Cl)(SS)	107.8150	0.243	2	107.8150	0.059	2	107.8150	0.059	2	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	C[6]-4:S-2:	C[6]-4:S-2:	S(SC[6])2	S(C[6]C[6]2S)(SS)	S(C[6]C[6]2S)(SS)	S(SC[6])2	S(C[6]C[6]2S)(SS)	S(C[6]C[6]2S)(SS)	105.9530	0.000	1	105.9530	0.000	1	105.9530	0.000	1	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	P-4:S-2:	P-4:S-2:	S(SP)2	S(PC[6a]2S)(SS)	S(PC[6a]2S)(SS)	S(SP)2	S(PC[6a]2S)(SS)	S(PC[6a]2S)(SS)	106.7740	0.000	1	106.7740	0.000	1	106.3470	2.293	3	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	P-4:S-2:	P-4:S-2:	S(SP)2	S(PN3)(SS)	S(PN3)(SS)	S(SP)2	S(PN3)(SS)	S(PN3)(SS)	104.6650	0.000	1	104.6650	0.000	1	106.3470	2.293	3	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	4:2:	4:2:	S-2:S-2:	P-4:S-2:	P-4:S-2:	S(SP)2	S(PN[6]SS)(SS)	S(PN[6]SS)(SS)	S(SP)2	S(PN[6]SS)(SS)	S(PN[6]SS)(SS)	107.6020	0.000	1	107.6020	0.000	1	106.3470	2.293	3	106.7135	1.193	8	107.2518	2.002	125	107.2518	2.002	125
909	909	909	0:SP3_SP3_SP3	S	S	S	2:2:	5:2:	5:2:	S-2:S-2:	C[3x3,4,3x5,14x6]-5:S-2:	C[3x3,4,3x5,14x6]-5:S-2:	S(SC[3x3,4,3x5,14x6])2	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	S(SC[3x3,4,3x5,14x6])2	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	S(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(SS)	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.6440	0.000	1	107.2518	2.002	125	107.2518	2.002	125
909	909	930	0:SP2_SP2_SP2	S	S	C	2:3:	3:2:	3:2:2:	S-2:C-3:	C[6a]-3:S-2:	C-3:N-2:S-2:	S(SC[6a])(CCN)	S(C[6a]C[6a]N[6a])(SC)	C(CPS)(NP)(SS)	S(SC[6a])(CCN)	S(C[6a]C[6a]N[6a])(SC)	C(CPS)(NP)(SS)	101.3220	0.000	1	101.3220	0.000	1	101.3220	0.000	1	101.3220	0.000	1	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	2:2:	2:2:2:	C-3:S-2:	S-2:S-2:	N-2:C-2:S-2:	S(CCN)(SS)	S(SC[5a])(SC)	C(NC[5a])(CN)(SS)	S(CCN)(SS)	S(SC[5a])(SC)	C(NC[5a])(CN)(SS)	100.2200	0.000	1	100.2200	0.000	1	100.2200	0.000	1	100.2200	0.000	1	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	2:2:	3:2:2:	C-3:S-2:	S-2:S-2:	C-3:S-2:S-2:	S(CCS)(SS)	S(SC)(SS)	C(CHN)(SS)2	S(CCS)(SS)	S(SC)(SS)	C(CHN)(SS)2	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	109.7550	0.000	1	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	2:2:	3:3:2:	C-3:S-2:	N-2:S-2:	C[5a]-3:C-3:S-2:	S(CC[5a]C)(SN)	S(NC)(SC)	C(C[5a]C[5a]2)(CClN)(SS)	S(CC[5a]C)(SN)	S(NC)(SC)	C(C[5a]C[5a]2)(CClN)(SS)	100.9660	1.257	2	100.9660	1.581	2	100.9660	1.581	2	103.9555	14.448	4	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	2:2:	3:3:2:	C-3:S-2:	S-2:S-2:	C-3:C-3:S-2:	S(CCC)(SS)	S(SC)(SS)	C(CCN)2(SS)	S(CCC)(SS)	S(SC)(SS)	C(CCN)2(SS)	106.9450	2.452	2	106.9450	6.014	2	106.9450	6.014	2	103.9555	14.448	4	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:1:1:	C-3:S-2:	C-3:S-2:	S-2:Cl-1:O-1:	S(CClO)(SC)	S(CNO)(SC)	C(SS)(Cl)(O)	S(CClO)(SC)	S(CNO)(SC)	C(SS)(Cl)(O)	101.4130	0.000	1	101.4130	0.000	1	101.4130	0.000	1	101.4130	0.000	1	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:2:1:	C-3:S-2:	C-3:S-2:	O-2:S-2:S-1:	S(COS)(SC)	S(COS)(SC)	C(OC)(SS)(S)	S(COS)(SC)	S(COS)(SC)	C(OC)(SS)(S)	106.0490	0.081	4	106.0490	0.007	4	106.0490	0.007	4	105.8802	0.111	6	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:2:1:	C-3:S-2:	C-3:S-2:	S-2:S-2:O-1:	S(COS)(SC)	S(COS)(SC)	C(SC)(SS)(O)	S(COS)(SC)	S(COS)(SC)	C(SC)(SS)(O)	105.5425	0.438	2	105.5425	0.192	2	105.5425	0.192	2	105.8802	0.111	6	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:2:2:	C-3:S-2:	C-3:S-2:	N-2:N-2:S-2:	S(CNN)(SC)	S(CNN)(SC)	C(NN)2(SS)	S(CNN)(SC)	S(CNN)(SC)	C(NN)2(SS)	101.0965	1.228	2	101.0965	1.509	2	101.0965	1.509	2	103.2671	3.189	7	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:2:2:	C-3:S-2:	C-3:S-2:	N-2:O-2:S-2:	S(CNO)(SC)	S(CNO)(SC)	C(NC)(OC)(SS)	S(CNO)(SC)	S(CNO)(SC)	C(NC)(OC)(SS)	102.5740	0.000	1	102.5740	0.000	1	102.5740	0.000	1	103.2671	3.189	7	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	2:2:2:	C-3:S-2:	C-3:S-2:	N-2:S-2:S-2:	S(CNS)(SC)	S(CNS)(SC)	C(NN)(SC)(SS)	S(CNS)(SC)	S(CNS)(SC)	C(NN)(SC)(SS)	104.5258	0.680	4	104.5258	0.462	4	104.5258	0.462	4	103.2671	3.189	7	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	C-3:S-2:H-1:	S(CCH)(SC)	S(CCH)(SC)	C(CCN)(SS)(H)	S(CCH)(SC)	S(CCH)(SC)	C(CCN)(SS)(H)	104.5175	0.272	2	104.5175	0.074	2	104.5175	0.074	2	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	C[5]-3:S-2:S-1:	S(CC[5]S)(SC)	S(CC[5]S)(SC)	C(C[5]C[5]2)(SS)(S)	S(CC[5]S)(SC)	S(CC[5]S)(SC)	C(C[5]C[5]2)(SS)(S)	106.8465	0.607	2	106.8465	0.369	2	106.8465	0.369	2	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	C[5a]-3:S-2:O-1:	S(CC[5a]O)(SC)	S(CC[5a]O)(SC)	C(C[5a]C[5a]O[5a])(SS)(O)	S(CC[5a]O)(SC)	S(CC[5a]O)(SC)	C(C[5a]C[5a]O[5a])(SS)(O)	99.9229	0.000	1	99.9229	0.000	1	99.9229	0.000	1	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	C[6a]-3:S-2:S-1:	S(CC[6a]S)(SC)	S(CC[6a]S)(SC)	C(C[6a]C[6a]2)(SS)(S)	S(CC[6a]S)(SC)	S(CC[6a]S)(SC)	C(C[6a]C[6a]2)(SS)(S)	103.2405	0.455	2	103.2405	0.207	2	103.2405	0.207	2	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CClO)(SC)	C(NCH)(SS)(O)	S(CNO)(SC)	S(CClO)(SC)	C(NCH)(SS)(O)	97.7896	0.000	1	97.7896	0.000	1	99.5056	1.396	6	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CNO)(SC)	C(NCH)(SS)(O)	S(CNO)(SC)	S(CNO)(SC)	C(NCH)(SS)(O)	98.2613	0.000	1	98.2613	0.000	1	99.5056	1.396	6	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CNO)(SC)	C(NC[6]2)(SS)(O)	S(CNO)(SC)	S(CNO)(SC)	C(NC[6]2)(SS)(O)	100.3360	0.000	1	100.3360	0.000	1	99.5056	1.396	6	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CNO)(SC)	C(NC[6a]C)(SS)(O)	S(CNO)(SC)	S(CNO)(SC)	C(NC[6a]C)(SS)(O)	100.2156	0.377	3	100.2156	0.142	3	99.5056	1.396	6	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:S-1:	S(CNS)(SC)	S(CNS)(SC)	C(NCC)(SS)(S)	S(CNS)(SC)	S(CNS)(SC)	C(NCC)(SS)(S)	103.8551	0.652	7	103.8551	0.425	7	103.5265	0.606	10	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N-3:S-2:S-1:	S(CNS)(SC)	S(CNS)(SC)	C(NC[6a]C)(SS)(S)	S(CNS)(SC)	S(CNS)(SC)	C(NC[6a]C)(SS)(S)	102.7597	0.437	3	102.7597	0.191	3	103.5265	0.606	10	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N[5]-3:S-2:S-1:	S(CN[5]S)(SC)	S(CN[5]S)(SC)	C(N[5]C[5]2)(SS)(S)	S(CN[5]S)(SC)	S(CN[5]S)(SC)	C(N[5]C[5]2)(SS)(S)	104.3670	0.891	4	104.3670	0.795	4	104.3670	0.795	4	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N[5a]-3:S-2:S-1:	S(CN[5a]S)(SC)	S(CN[5a]S)(SC)	C(N[5a]C[5a,6a]2)(SS)(S)	S(CN[5a]S)(SC)	S(CN[5a]S)(SC)	C(N[5a]C[5a,6a]2)(SS)(S)	101.6340	0.000	1	101.6340	0.000	1	101.6340	0.000	1	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	C-3:S-2:	N[6]-3:S-2:S-1:	S(CN[6]S)(SC)	S(CN[6]S)(SC)	C(N[6]C[6,6a]C[6])(SS)(S)	S(CN[6]S)(SC)	S(CN[6]S)(SC)	C(N[6]C[6,6a]C[6])(SS)(S)	103.8210	0.839	2	103.8210	0.703	2	103.8210	0.703	2	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:1:	C-3:S-2:	N-3:S-2:	N-3:S-2:O-1:	S(CNO)(SN)	S(NC[6a]C)(SC)	C(NC[6a]C)(SS)(O)	S(CNO)(SN)	S(NC[6a]C)(SC)	C(NC[6a]C)(SS)(O)	102.6080	0.000	1	102.6080	0.000	1	102.6080	0.000	1	102.9285	4.889	31	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:2:	C-3:S-2:	C-3:S-2:	C[6a]-3:N-2:S-2:	S(CC[6a]N)(SC)	S(CC[6a]N)(SC)	C(C[6a]C[6a]2)(NN)(SS)	S(CC[6a]N)(SC)	S(CC[6a]N)(SC)	C(C[6a]C[6a]2)(NN)(SS)	101.1640	0.379	2	101.1640	0.144	2	101.1640	0.144	2	102.3988	2.083	4	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:2:2:	C-3:S-2:	C-3:S-2:	N-3:N-2:S-2:	S(CNN)(SC)	S(CNN)(SC)	C(NCH)(NN)(SS)	S(CNN)(SC)	S(CNN)(SC)	C(NCH)(NN)(SS)	103.6335	0.088	2	103.6335	0.008	2	103.6335	0.008	2	102.3988	2.083	4	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:3:2:	C-3:S-2:	C-3:S-2:	N-3:N-3:S-2:	S(CNN)(SC)	S(CNN)(SC)	C(NCH)(NHH)(SS)	S(CNN)(SC)	S(CNN)(SC)	C(NCH)(NHH)(SS)	102.4520	0.000	1	102.4520	0.000	1	103.0291	0.433	9	103.0291	0.433	9	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	3:3:2:	C-3:S-2:	C-3:S-2:	N-3:N-3:S-2:	S(CNN)(SC)	S(CNN)(SC)	C(NHH)2(SS)	S(CNN)(SC)	S(CNN)(SC)	C(NHH)2(SS)	103.1012	0.664	8	103.1012	0.441	8	103.0291	0.433	9	103.0291	0.433	9	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	4:2:1:	C-3:S-2:	C-3:S-2:	C-4:S-2:O-1:	S(CCO)(SC)	S(CCO)(SC)	C(CCCN)(SS)(O)	S(CCO)(SC)	S(CCO)(SC)	C(CCCN)(SS)(O)	99.7168	1.458	2	99.7168	2.127	2	99.7168	2.127	2	99.7168	2.127	2	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	3:2:	4:3:2:	C-3:S-2:	C-3:S-2:	C-4:C-3:S-2:	S(CCC)(SC)	S(CCC)(SC)	C(CH3)(CCN)(SS)	S(CCC)(SC)	S(CCC)(SC)	C(CH3)(CCN)(SS)	103.4980	0.348	2	103.4980	0.121	2	103.4980	0.121	2	103.4980	0.121	2	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	4:2:	3:2:1:	C-3:S-2:	C-4:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CCl3)(SC)	C(NCH)(SS)(O)	S(CNO)(SC)	S(CCl3)(SC)	C(NCH)(SS)(O)	102.2040	0.000	1	102.2040	0.000	1	101.8985	0.187	2	103.2657	5.701	3	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	4:2:	3:2:1:	C-3:S-2:	C-4:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CCl3)(SC)	C(NC[6a]C)(SS)(O)	S(CNO)(SC)	S(CCl3)(SC)	C(NC[6a]C)(SS)(O)	101.5930	0.000	1	101.5930	0.000	1	101.8985	0.187	2	103.2657	5.701	3	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP2	S	S	C	3:2:	4:2:	3:2:1:	C-3:S-2:	C-4:S-2:	N-3:S-2:S-1:	S(CNS)(SC)	S(CHHS)(SC)	C(NCH)(SS)(S)	S(CNS)(SC)	S(CHHS)(SC)	C(NCH)(SS)(S)	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	103.2657	5.701	3	103.2021	5.164	72	103.2021	5.164	72
909	909	930	0:SP2_SP2_SP3	S	S	C	3:2:	2:2:	3:2:2:	C-3:S-2:	S-2:S-2:	C-3:S-2:S-2:	S(CCS)(SS)	S(SC)(SS)	C(CHN)(SS)2	S(CCS)(SS)	S(SC)(SS)	C(CHN)(SS)2	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	102.6995	6.703	7	102.6995	6.703	7
909	909	930	0:SP2_SP2_SP3	S	S	C	3:2:	3:2:	2:2:2:	C-3:S-2:	N-3:S-2:	N-2:C-2:S-2:	S(CCN)(SN)	S(NCC)(SC)	C(NC[5a])(CN)(SS)	S(CCN)(SN)	S(NCC)(SC)	C(NC[5a])(CN)(SS)	104.4300	0.000	1	104.4300	0.000	1	104.4300	0.000	1	104.4300	0.000	1	102.6995	6.703	7	102.6995	6.703	7
909	909	930	0:SP2_SP2_SP3	S	S	C	3:2:	4:2:	2:2:1:	C-3:S-2:	C-4:S-2:	O-2:S-2:O-1:	S(COO)(SC)	S(CF3)(SC)	C(OC)(SS)(O)	S(COO)(SC)	S(CF3)(SC)	C(OC)(SS)(O)	101.9705	0.501	2	101.9705	0.251	2	101.9705	0.251	2	101.9705	0.251	2	102.6995	6.703	7	102.6995	6.703	7
909	909	930	0:SP2_SP2_SP3	S	S	C	3:2:	4:2:	3:2:1:	C-3:S-2:	C-4:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CCl3)(SC)	C(NCH)(SS)(O)	S(CNO)(SC)	S(CCl3)(SC)	C(NCH)(SS)(O)	101.4205	0.022	2	101.4205	0.000	2	100.9362	0.704	3	100.9362	0.704	3	102.6995	6.703	7	102.6995	6.703	7
909	909	930	0:SP2_SP2_SP3	S	S	C	3:2:	4:2:	3:2:1:	C-3:S-2:	C-4:S-2:	N-3:S-2:O-1:	S(CNO)(SC)	S(CCl3)(SC)	C(NC[6a]C)(SS)(O)	S(CNO)(SC)	S(CCl3)(SC)	C(NC[6a]C)(SS)(O)	99.9677	0.000	1	99.9677	0.000	1	100.9362	0.704	3	100.9362	0.704	3	102.6995	6.703	7	102.6995	6.703	7
909	909	941	0:SP2_SP2_SP2	S	S	N	2:2:	2:2:	3:2:	N-2:S-2:	N-2:S-2:	C[6a]-3:S-2:	S(NC[6a])(SN)	S(NC[6])(SN)	N(C[6a]C[6a]N[6a])(SS)	S(NC[6a])(SN)	S(NC[6])(SN)	N(C[6a]C[6a]N[6a])(SS)	91.2385	0.310	3	91.2385	0.096	3	91.2385	0.096	3	91.2385	0.096	3	94.5790	21.327	5	94.5790	21.327	5
909	909	941	0:SP2_SP2_SP2	S	S	N	2:2:	3:2:	3:2:	N-2:S-2:	C-3:S-2:	C-3:S-2:	S(NC)(SC)	S(CC[5a]C)(SN)	N(CC[5a]Cl)(SS)	S(NC)(SC)	S(CC[5a]C)(SN)	N(CC[5a]Cl)(SS)	99.5899	1.192	2	99.5899	1.422	2	99.5899	1.422	2	99.5899	1.422	2	94.5790	21.327	5	94.5790	21.327	5
909	909	941	0:SP2_SP2_SP3	S	S	N	2:2:	2:2:	3:2:	N-2:S-2:	S-2:S-2:	C-3:S-2:	S(NC)(SS)	S(SN)2	N(CC[5a]Cl)(SS)	S(NC)(SS)	S(SN)2	N(CC[5a]Cl)(SS)	100.4130	0.000	1	100.4130	0.000	1	100.4130	0.000	1	100.4130	0.000	1	100.4130	0.000	1	100.4130	0.000	1
909	909	952	0:SP3_SP3_SP3	S	S	S	2:4:	4:2:	4:2:1:1:	S-2:S-4:	C[6]-4:S-2:	C-4:S-2:O-1:O-1:	S(SC[6])(SCOO)	S(C[6]C[6]O[6]H)(SS)	S(CH3)(SS)(O)2	S(SC[6])(SCOO)	S(C[6]C[6]O[6]H)(SS)	S(CH3)(SS)(O)2	101.8730	0.000	1	101.8730	0.000	1	101.8730	0.000	1	101.8730	0.000	1	103.2346	0.940	5	103.2346	0.940	5
909	909	952	0:SP3_SP3_SP3	S	S	S	4:2:	4:2:	2:1:1:1:	S-4:S-2:	S-4:S-2:	S-2:O-1:O-1:O-1:	S(SO3)(SS)	S(SO3)(SS)	S(SS)(O)3	S(SO3)(SS)	S(SO3)(SS)	S(SS)(O)3	104.0160	0.636	2	104.0160	0.405	2	104.0160	0.405	2	104.0160	0.405	2	103.2346	0.940	5	103.2346	0.940	5
909	909	952	0:SP3_SP3_SP3	S	S	S	4:2:	4:2:	2:2:1:1:	S-4:S-2:	S-4:S-2:	O-2:S-2:O-1:O-1:	S(SO3)(SS)	S(SO3)(SS)	S(OMn)(SS)(O)2	S(SO3)(SS)	S(SO3)(SS)	S(OMn)(SS)(O)2	102.7730	0.000	1	102.7730	0.000	1	103.1340	0.261	2	103.1340	0.261	2	103.2346	0.940	5	103.2346	0.940	5
909	909	952	0:SP3_SP3_SP3	S	S	S	4:2:	4:2:	2:2:1:1:	S-4:S-2:	S-4:S-2:	O-2:S-2:O-1:O-1:	S(SO3)(SS)	S(SO3)(SS)	S(OZn)(SS)(O)2	S(SO3)(SS)	S(SO3)(SS)	S(OZn)(SS)(O)2	103.4950	0.000	1	103.4950	0.000	1	103.1340	0.261	2	103.1340	0.261	2	103.2346	0.940	5	103.2346	0.940	5
909	909	956	0:SP2_SP2_SP2	S	S	N	3:2:	3:2:	3:2:1:	N-3:S-2:	C[6a]-3:S-2:	C[6a]-3:S-2:H-1:	S(NC[6a]H)(SC[6a])	S(C[6a]C[6a]2)(SN)	N(C[6a]C[6a]2)(SS)(H)	S(NC[6a]H)(SC[6a])	S(C[6a]C[6a]2)(SN)	N(C[6a]C[6a]2)(SS)(H)	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1	107.9500	0.000	1
909	909	956	0:SP2_SP2_SP3	S	S	N	3:2:	3:2:	3:4:2:	N-3:S-2:	C-3:S-2:	C[6a]-3:C-4:S-2:	S(NC[6a]C)(SC)	S(CNO)(SN)	N(C[6a]C[6a]2)(CH3)(SS)	S(NC[6a]C)(SC)	S(CNO)(SN)	N(C[6a]C[6a]2)(CH3)(SS)	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1	108.3670	0.000	1
909	909	956	0:SP3_SP2_SP3	S	S	N	3:2:	2:2:	3:4:2:	N-3:S-2:	S-2:S-2:	C[6a]-3:C-4:S-2:	S(NC[6a]C)(SS)	S(SN)2	N(C[6a]C[6a]2)(CH3)(SS)	S(NC[6a]C)(SS)	S(SN)2	N(C[6a]C[6a]2)(CH3)(SS)	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.0418	3.400	4	107.0418	3.400	4
909	909	956	0:SP3_SP2_SP3	S	S	N	3:2:	3:2:	3:2:2:	N-3:S-2:	N-3:S-2:	C-3:N-2:S-2:	S(NCN)(SN)	S(NCN)(SN)	N(CCO)(NC)(SS)	S(NCN)(SN)	S(NCN)(SN)	N(CCO)(NC)(SS)	105.6910	0.526	2	105.6910	0.277	2	105.6910	0.277	2	105.6910	0.277	2	107.0418	3.400	4	107.0418	3.400	4
909	909	956	0:SP3_SP2_SP3	S	S	N	3:2:	3:2:	4:4:2:	N-3:S-2:	C-3:S-2:	C-4:C-4:S-2:	S(NCC)(SC)	S(CCN)(SN)	N(CCHH)2(SS)	S(NCC)(SC)	S(CCN)(SN)	N(CCHH)2(SS)	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	107.0418	3.400	4	107.0418	3.400	4
909	909	956	0:SP3_SP3_SP3	S	S	N	3:2:	2:2:	3:4:2:	N-3:S-2:	S-2:S-2:	C[6a]-3:C-4:S-2:	S(NC[6a]C)(SS)	S(SN)2	N(C[6a]C[6a]2)(CH3)(SS)	S(NC[6a]C)(SS)	S(SN)2	N(C[6a]C[6a]2)(CH3)(SS)	107.2110	0.494	2	107.2110	0.244	2	107.2110	0.244	2	107.2110	0.244	2	108.6385	3.130	4	108.6385	3.130	4
909	909	956	0:SP3_SP3_SP3	S	S	N	3:2:	2:2:	4:4:2:	N-3:S-2:	S-2:S-2:	P-4:C-4:S-2:	S(NCP)(SS)	S(SN)(SS)	N(PC[6a]NO)(CC3)(SS)	S(NCP)(SS)	S(SN)(SS)	N(PC[6a]NO)(CC3)(SS)	110.0660	0.998	2	110.0660	0.997	2	110.0660	0.997	2	110.0660	0.997	2	108.6385	3.130	4	108.6385	3.130	4
909	909	977	0:SP3_SP-NON_SP3	S	S	S	2:1:	2:1:	2:	S-2:S-1:	S-2:S-1:	S-2:	S(SS)(S)	S(SS)(S)	S(SS)	S(SS)(S)	S(SS)(S)	S(SS)	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	101.6990	0.000	1	107.8200	17.151	4	107.8200	17.151	4
909	909	977	0:SP3_SP-NON_SP3	S	S	S	2:1:	2:2:	2:	S-2:S-1:	S-2:S-2:	S-2:	S(SS)(S)	S(SS)2	S(SS)	S(SS)(S)	S(SS)2	S(SS)	109.8603	0.865	3	109.8603	0.749	3	109.8603	0.749	3	109.8603	0.749	3	107.8200	17.151	4	107.8200	17.151	4
909	909	983	0:SP2_SP1_SP2	S	S	C	2:2:	3:2:	2:1:	S-2:C-2:	C[6a]-3:S-2:	S-2:N-1:	S(SC[6a])(CN)	S(C[6a]C[6a]2)(SC)	C(SS)(N)	S(SC[6a])(CN)	S(C[6a]C[6a]2)(SC)	C(SS)(N)	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	2:2:	3:2:1:1:	P-4:S-2:	S-2:S-2:	N[6]-3:S-2:S-1:S-1:	S(PN[6]SS)(SS)	S(SP)2	P(N[6]C[6]2)(SS)(S)2	S(PN[6]SS)(SS)	S(SP)2	P(N[6]C[6]2)(SS)(S)2	105.3745	1.101	2	105.3745	1.212	2	105.3745	1.212	2	105.3745	1.212	2	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	2:2:	3:3:2:1:	P-4:S-2:	S-2:S-2:	C[6a]-3:C[6a]-3:S-2:S-1:	S(PC[6a]2S)(SS)	S(SP)2	P(C[6a]C[6a]2)2(SS)(S)	S(PC[6a]2S)(SS)	S(SP)2	P(C[6a]C[6a]2)2(SS)(S)	99.9432	0.594	2	99.9432	0.353	2	99.9432	0.353	2	99.9432	0.353	2	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	2:2:	3:3:3:2:	P-4:S-2:	S-2:S-2:	N-3:N-3:N-3:S-2:	S(PN3)(SS)	S(SP)2	P(NCC)3(SS)	S(PN3)(SS)	S(SP)2	P(NCC)3(SS)	102.4575	2.433	2	102.4575	5.920	2	102.4575	5.920	2	102.4575	5.920	2	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	4:2:	2:2:2:1:	P-4:S-2:	P-4:S-2:	O-2:O-2:S-2:S-1:	S(POOS)(SP)	S(POOS)(SP)	P(OC[6a])2(SS)(S)	S(POOS)(SP)	S(POOS)(SP)	P(OC[6a])2(SS)(S)	102.8160	2.034	2	102.8160	4.136	2	102.8160	4.136	2	102.8160	4.136	2	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	4:2:	3:2:2:1:	P-4:S-2:	P-4:S-2:	C[6a]-3:O-2:S-2:O-1:	S(PC[6a]OO)(SP)	S(PC[6a]OO)(SP)	P(C[6a]C[6a]2)(OC[6])(SS)(O)	S(PC[6a]OO)(SP)	S(PC[6a]OO)(SP)	P(C[6a]C[6a]2)(OC[6])(SS)(O)	96.9556	0.000	1	96.9556	0.000	1	96.9556	0.000	1	104.0740	7.030	11	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	4:2:	3:2:2:1:	P-4:S-2:	P-4:S-2:	C[6a]-3:O-2:S-2:S-1:	S(PC[6a]OS)(SP)	S(PC[6a]OS)(SP)	P(C[6a]C[6a]2)(OC)(SS)(S)	S(PC[6a]OS)(SP)	S(PC[6a]OS)(SP)	P(C[6a]C[6a]2)(OC)(SS)(S)	104.7858	1.272	10	104.7858	1.618	10	104.7858	1.618	10	104.0740	7.030	11	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	4:2:	3:3:2:1:	P-4:S-2:	P-4:S-2:	C[6a]-3:C[6a]-3:S-2:S-1:	S(PC[6a]2S)(SP)	S(PC[6a]2S)(SP)	P(C[6a]C[6a]2)2(SS)(S)	S(PC[6a]2S)(SP)	S(PC[6a]2S)(SP)	P(C[6a]C[6a]2)2(SS)(S)	104.1570	0.000	1	104.1570	0.000	1	104.1570	0.000	1	104.1570	0.000	1	103.5551	5.822	22	103.5551	5.822	22
909	909	992	0:SP3_SP3_SP3	S	S	P	4:2:	4:2:	4:4:2:1:	P-4:S-2:	P-4:S-2:	C-4:C-4:S-2:S-1:	S(PCCS)(SP)	S(PCCS)(SP)	P(CCCH)2(SS)(S)	S(PCCS)(SP)	S(PCCS)(SP)	P(CCCH)2(SS)(S)	104.0295	0.598	2	104.0295	0.357	2	104.0295	0.357	2	104.0295	0.357	2	103.5551	5.822	22	103.5551	5.822	22
909	921	921	0:SP3_SP3_SP3	S	Se	Se	2:2:	4:2:	4:2:	Se-2:Se-2:	C[5]-4:S-2:	C[5]-4:S-2:	S(SeC[5])2	Se(C[5]C[5]2Fe)(SSe)	Se(C[5]C[5]2Fe)(SSe)	S(SeC[5])2	Se(C[5]C[5]2Fe)(SSe)	Se(C[5]C[5]2Fe)(SSe)	103.1120	0.000	1	103.1120	0.000	1	103.1120	0.000	1	103.1120	0.000	1	103.1120	0.000	1	103.1120	0.000	1
909	921	930	0:SP2_SP2_SP3	S	Se	C	3:2:	2:2:	3:2:1:	C-3:Se-2:	S-2:S-2:	C[6a]-3:S-2:S-1:	S(CC[6a]S)(SeS)	Se(SC)2	C(C[6a]C[6a]2)(SSe)(S)	S(CC[6a]S)(SeS)	Se(SC)2	C(C[6a]C[6a]2)(SSe)(S)	95.5886	0.549	2	95.5886	0.302	2	95.5886	0.302	2	93.4252	2.905	6	93.4252	2.905	6	93.4252	2.905	6
909	921	930	0:SP2_SP2_SP3	S	Se	C	3:2:	2:2:	3:2:1:	C-3:Se-2:	S-2:S-2:	N-3:S-2:S-1:	S(CNS)(SeS)	Se(SC)2	C(NCC)(SSe)(S)	S(CNS)(SeS)	Se(SC)2	C(NCC)(SSe)(S)	92.3435	0.246	4	92.3435	0.060	4	92.3435	0.060	4	93.4252	2.905	6	93.4252	2.905	6	93.4252	2.905	6
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	2:2:1:	2:2:1:	C-3:C-3:	S-2:S-2:S-1:	S-2:S-2:S-1:	S(CSS)2	C(SC)2(S)	C(SC)2(S)	S(CSS)2	C(SC)2(S)	C(SC)2(S)	102.7850	0.000	1	102.7850	0.000	1	102.7850	0.000	1	102.7850	0.000	1	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:2:1:	2:2:2:	C-3:C-3:	C[6a]-3:S-2:H-1:	S-2:N-2:S-2:	S(CC[6a]H)(CNS)	C(C[6a]C[6a]2)(SC)(H)	C(SNi)(NN)(SC)	S(CC[6a]H)(CNS)	C(C[6a]C[6a]2)(SC)(H)	C(SNi)(NN)(SC)	103.2015	0.268	2	103.2015	0.072	2	103.2015	0.072	2	103.2015	0.072	2	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:S-2:H-1:	C-3:S-2:H-1:	S(CCH)2	C(CC[5]H)(SC)(H)	C(CC[5]H)(SC)(H)	S(CCH)2	C(CC[5]H)(SC)(H)	C(CC[5]H)(SC)(H)	105.4890	0.000	1	105.4890	0.000	1	103.3704	6.180	5	103.3262	4.956	6	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C-3:S-2:H-1:	C-3:S-2:H-1:	S(CCH)2	C(CHS)(SC)(H)	C(CHS)(SC)(H)	S(CCH)2	C(CHS)(SC)(H)	C(CHS)(SC)(H)	102.8407	2.524	4	102.8407	6.370	4	103.3704	6.180	5	103.3262	4.956	6	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	N[6]-3:S-2:S-1:	C-3:S-2:H-1:	S(CN[6]S)(CCH)	C(N[6]C[6]2)(SC)(S)	C(CC[6a]H)(SC)(H)	S(CN[6]S)(CCH)	C(N[6]C[6]2)(SC)(S)	C(CC[6a]H)(SC)(H)	103.1050	0.000	1	103.1050	0.000	1	103.1050	0.000	1	103.3262	4.956	6	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N-3:S-2:S-1:	C-3:C-3:S-2:	S(CCC)(CNS)	C(NCC)(SC)(S)	C(CCO)2(SC)	S(CCC)(CNS)	C(NCC)(SC)(S)	C(CCO)2(SC)	103.9480	0.000	2	103.9480	0.000	2	103.9480	0.000	2	103.9480	0.000	2	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:C-3:S-2:	C-3:C-3:S-2:	S(CCC)2	C(CC[6a]H)(CC[6a]O)(SC)	C(CC[6a]H)(CC[6a]O)(SC)	S(CCC)2	C(CC[6a]H)(CC[6a]O)(SC)	C(CC[6a]H)(CC[6a]O)(SC)	102.0893	2.989	3	102.0893	8.932	3	102.0893	8.932	3	102.3590	5.330	5	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:C[6a]-3:S-2:	C-3:C-3:S-2:	S(CC[6a]C)(CCC)	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C(CCH)(COO)(SC)	S(CC[6a]C)(CCC)	C(CC[6a]N[5a])(C[6a]C[6a]2)(SC)	C(CCH)(COO)(SC)	101.5570	0.000	1	101.5570	0.000	1	101.5570	0.000	1	102.3590	5.330	5	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[5]-3:C[6a]-3:S-2:	C[6a]-3:C-3:S-2:	S(CC[6a]C[5])(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C(C[6a]C[6a]2)(CCH)(SC)	S(CC[6a]C[5])(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C(C[6a]C[6a]2)(CCH)(SC)	103.9700	0.000	1	103.9700	0.000	1	103.9700	0.000	1	102.3590	5.330	5	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:S-2:O-1:	C-4:S-2:O-1:	S(CCO)2	C(CH3)(SC)(O)	C(CH3)(SC)(O)	S(CCO)2	C(CH3)(SC)(O)	C(CH3)(SC)(O)	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	109.4140	0.000	1	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	4:4:2:	3:2:1:	C-3:C-3:	P-4:P-4:S-2:	N-3:S-2:S-1:	S(CNS)(CPP)	C(PC[6a]2Mn)2(SC)	C(NCC)(SC)(S)	S(CNS)(CPP)	C(PC[6a]2Mn)2(SC)	C(NCC)(SC)(S)	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	103.8018	7.197	19	103.8018	7.197	19
909	930	930	0:SP2_SP2_SP2	S	C	C	3:3:	4:4:2:	3:2:2:	C-3:C-3:	P-4:P-4:S-2:	N-3:S-2:S-2:	S(CNS)(CPP)	C(PC[6a]2Mn)2(SC)	C(NCC)(SCu)(SC)	S(CNS)(CPP)	C(PC[6a]2Mn)2(SC)	C(NCC)(SCu)(SC)	103.9950	0.000	1	103.9950	0.000	1	103.9950	0.000	1	103.9950	0.000	1	103.8018	7.197	19	103.8018	7.197	19
909	930	941	0:SP2_SP2_SP2	S	C	N	3:2:	2:2:1:	2:2:	C-3:N-2:	O-2:S-2:O-1:	C-2:S-2:	S(COO)(NC)	C(OC)(SN)(O)	N(CO)(SC)	S(COO)(NC)	C(OC)(SN)(O)	N(CO)(SC)	100.5067	0.187	3	100.5067	0.035	3	100.5067	0.035	3	100.5067	0.035	3	100.5067	0.035	3	100.5067	0.035	3
909	930	944	0:SP2_SP-NON_SP2	S	C	I	3:1:	2:2:2:	2:	C-3:I-1:	N-2:N-2:S-2:	S-2:	S(CNN)(I)	C(NH)2(SI)	I(SC)	S(CNN)(I)	C(NH)2(SI)	I(SC)	104.7410	0.000	1	104.7410	0.000	1	104.7410	0.000	1	104.7410	0.000	1	105.0880	0.753	6	105.0880	0.753	6
909	930	944	0:SP2_SP-NON_SP2	S	C	I	3:1:	3:3:2:	2:	C-3:I-1:	C-3:N-3:S-2:	S-2:	S(CCN)(I)	C(CNS)(NCC)(SI)	I(SC)	S(CCN)(I)	C(CNS)(NCC)(SI)	I(SC)	106.4130	0.000	1	106.4130	0.000	1	106.4130	0.000	1	105.1574	0.906	5	105.0880	0.753	6	105.0880	0.753	6
909	930	944	0:SP2_SP-NON_SP2	S	C	I	3:1:	3:3:2:	2:	C-3:I-1:	N-3:N-3:S-2:	S-2:	S(CNN)(I)	C(NCH)2(SI)	I(SC)	S(CNN)(I)	C(NCH)2(SI)	I(SC)	104.3490	0.000	1	104.3490	0.000	1	104.8435	0.551	4	105.1574	0.906	5	105.0880	0.753	6	105.0880	0.753	6
909	930	944	0:SP2_SP-NON_SP2	S	C	I	3:1:	3:3:2:	2:	C-3:I-1:	N-3:N-3:S-2:	S-2:	S(CNN)(I)	C(NHH)2(SI)	I(SC)	S(CNN)(I)	C(NHH)2(SI)	I(SC)	105.0083	0.814	3	105.0083	0.663	3	104.8435	0.551	4	105.1574	0.906	5	105.0880	0.753	6	105.0880	0.753	6
909	930	945	0:SP2_SP2_SP3	S	C	P	3:3:	3:2:1:	3:3:2:	C-3:P-3:	P-3:S-2:S-1:	N-3:N-3:S-2:	S(CPS)(PNN)	C(PCC)(SP)(S)	P(NCC)2(SC)	S(CPS)(PNN)	C(PCC)(SP)(S)	P(NCC)2(SC)	102.7280	2.152	3	102.7280	4.633	3	102.7280	4.633	3	102.7280	4.633	3	102.7280	4.633	3	102.7280	4.633	3
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	2:2:2:	2:	C-3:H-1:	S-2:N-2:S-2:	S-2:	S(CNS)(H)	C(SC[6a])(NC)(SH)	H(SC)	S(CNS)(H)	C(SC[6a])(NC)(SH)	H(SC)	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:S-2:H-1:	S-2:	S(CHN)(H)	C(NCC)(SH)(H)	H(SC)	S(CHN)(H)	C(NCC)(SH)(H)	H(SC)	90.3438	0.000	1	90.3438	0.000	1	90.3438	0.000	1	88.8284	4.593	2	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	3:2:1:	2:	C-3:H-1:	N-3:S-2:O-1:	S-2:	S(CNO)(H)	C(NC[6a]2)(SH)(O)	H(SC)	S(CNO)(H)	C(NC[6a]2)(SH)(O)	H(SC)	87.3130	0.000	1	87.3130	0.000	1	87.3130	0.000	1	88.8284	4.593	2	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	3:3:2:	2:	C-3:H-1:	C-3:C-3:S-2:	S-2:	S(CCC)(H)	C(CCH)2(SH)	H(SC)	S(CCC)(H)	C(CCH)2(SH)	H(SC)	99.2531	1.478	2	99.2531	2.184	2	99.2531	2.184	2	96.3920	6.529	8	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:C-3:S-2:	S-2:	S(CCN)(H)	C(NC[6a]H)(CCC)(SH)	H(SC)	S(CCN)(H)	C(NC[6a]H)(CCC)(SH)	H(SC)	97.5460	0.000	1	97.5460	0.000	1	97.5460	0.000	1	96.3920	6.529	8	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	3:3:2:	2:	C-3:H-1:	N-3:N-3:S-2:	S-2:	S(CNN)(H)	C(NHH)2(SH)	H(SC)	S(CNN)(H)	C(NHH)2(SH)	H(SC)	95.0167	2.022	5	95.0167	4.090	5	95.0167	4.090	5	96.3920	6.529	8	97.5895	40.380	13	97.5895	40.380	13
909	930	951	0:SP2_SP-NON_SP2	S	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:S-2:O-1:	S-2:	S(CCO)(H)	C(CCHN)(SH)(O)	H(SC)	S(CCO)(H)	C(CCHN)(SH)(O)	H(SC)	104.7080	1.553	2	104.7080	2.411	2	104.7080	2.411	2	104.7080	2.411	2	97.5895	40.380	13	97.5895	40.380	13
909	930	956	0:SP2_SP2_SP2	S	C	N	3:3:	3:2:1:	3:4:2:	N-3:C-3:	N-3:S-2:O-1:	C[6a]-3:C-4:S-2:	S(NC[6a]C)(CNO)	C(NC[6a]C)(SN)(O)	N(C[6a]C[6a]2)(CH3)(SC)	S(NC[6a]C)(CNO)	C(NC[6a]C)(SN)(O)	N(C[6a]C[6a]2)(CH3)(SC)	100.3690	0.000	1	100.3690	0.000	1	100.3690	0.000	1	100.3690	0.000	1	100.3690	0.000	1	100.3690	0.000	1
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	2:1:1:	2:1:	C-3:C-2:	S-2:F-1:O-1:	S-2:N-1:	S(CFO)(CN)	C(SC)(F)(O)	C(SC)(N)	S(CFO)(CN)	C(SC)(F)(O)	C(SC)(N)	94.8746	0.000	1	94.8746	0.000	1	94.8746	0.000	1	94.8746	0.000	1	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C-3:S-2:H-1:	S-2:N-1:	S(CCH)(CN)	C(CC[6a]N)(SC)(H)	C(SC)(N)	S(CCH)(CN)	C(CC[6a]N)(SC)(H)	C(SC)(N)	101.0610	0.000	1	101.0610	0.000	1	101.0610	0.000	1	99.9287	1.141	3	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C[5,6]-3:S-2:H-1:	S-2:N-1:	S(CC[5,6]H)(CN)	C(C[5,6]C[5,6]2)(SC)(H)	C(SC)(N)	S(CC[5,6]H)(CN)	C(C[5,6]C[5,6]2)(SC)(H)	C(SC)(N)	99.3625	0.599	2	99.3625	0.359	2	99.3625	0.359	2	99.9287	1.141	3	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C-3:C-3:S-2:	S-2:N-1:	S(CCC)(CN)	C(CC[6a]O)(CHN)(SC)	C(SC)(N)	S(CCC)(CN)	C(CC[6a]O)(CHN)(SC)	C(SC)(N)	102.6900	0.000	1	102.6900	0.000	1	102.6900	0.000	1	99.8352	4.124	6	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[5]-3:C-3:S-2:	S-2:N-1:	S(CC[5]C)(CN)	C(C[5]S[5]2)(CC[6a]O)(SC)	C(SC)(N)	S(CC[5]C)(CN)	C(C[5]S[5]2)(CC[6a]O)(SC)	C(SC)(N)	101.0770	0.000	1	101.0770	0.000	1	101.0770	0.000	1	99.8352	4.124	6	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[6a]-3:C-3:S-2:	S-2:N-1:	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CCH)(SC)	C(SC)(N)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CCH)(SC)	C(SC)(N)	99.7814	0.000	1	99.7814	0.000	1	98.8111	2.244	4	99.8352	4.124	6	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[6a]-3:C-3:S-2:	S-2:N-1:	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHN)(SC)	C(SC)(N)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHN)(SC)	C(SC)(N)	100.3190	0.000	1	100.3190	0.000	1	98.8111	2.244	4	99.8352	4.124	6	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[6a]-3:C-3:S-2:	S-2:N-1:	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHS)(SC)	C(SC)(N)	S(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CHS)(SC)	C(SC)(N)	97.5720	0.667	2	97.5720	0.445	2	98.8111	2.244	4	99.8352	4.124	6	99.7067	5.802	11	99.7067	5.802	11
909	930	983	0:SP2_SP1_SP2	S	C	C	3:2:	4:3:2:	2:1:	C-3:C-2:	P-4:C-3:S-2:	S-2:N-1:	S(CCP)(CN)	C(PC[6a]2Mn)(CNS)(SC)	C(SC)(N)	S(CCP)(CN)	C(PC[6a]2Mn)(CNS)(SC)	C(SC)(N)	103.1020	0.000	1	103.1020	0.000	1	103.1020	0.000	1	103.1020	0.000	1	99.7067	5.802	11	99.7067	5.802	11
909	930	990	0:SP2_SP2_SP2	S	C	As	3:2:	3:2:2:	2:2:	C-3:As-2:	C-3:S-2:C-2:	S-2:S-2:	S(CCC)(AsS)	C(CCS)(SAs)(CN)	As(SC)2	S(CCC)(AsS)	C(CCS)(SAs)(CN)	As(SC)2	103.5310	0.136	2	103.5310	0.018	2	103.5310	0.018	2	103.5310	0.018	2	103.5310	0.018	2	103.5310	0.018	2
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	2:2:	2:2:	N-2:N-2:	S-2:S-2:	S-2:S-2:	S(NS)2	N(SN)2	N(SN)2	S(NS)2	N(SN)2	N(SN)2	107.3434	5.340	16	107.3434	28.518	16	107.3434	28.518	16	107.3434	28.518	16	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	2:2:	N-2:N-2:	C-3:S-2:	S-2:S-2:	S(NC)(NS)	N(CC[6a]N)(SN)	N(SN)2	S(NC)(NS)	N(CC[6a]N)(SN)	N(SN)2	123.7928	0.453	6	123.7928	0.205	6	123.7928	0.205	6	120.5205	36.907	8	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	2:2:	N-2:N-2:	S-3:S-2:	S-2:S-2:	S(NS)2	N(SClN)(SN)	N(SN)2	S(NS)2	N(SClN)(SN)	N(SN)2	110.7035	0.571	2	110.7035	0.326	2	110.7035	0.326	2	120.5205	36.907	8	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C-3:S-2:	C-3:S-2:	S(NC)2	N(CC[5a]N)(SN)	N(CC[5a]N)(SN)	S(NC)2	N(CC[5a]N)(SN)	N(CC[5a]N)(SN)	125.9700	0.000	1	125.9700	0.000	1	125.9700	0.000	1	117.8502	139.312	5	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[5]-3:S-2:	C[5]-3:S-2:	S(NC[5])2	N(C[5]C[5,6a]2)(SN)	N(C[5]C[5,6a]2)(SN)	S(NC[5])2	N(C[5]C[5,6a]2)(SN)	N(C[5]C[5,6a]2)(SN)	96.9951	0.000	1	96.9951	0.000	1	96.9951	0.000	1	117.8502	139.312	5	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	3:2:	N-2:N-2:	C[6a]-3:S-2:	C[6a]-3:S-2:	S(NC[6a])2	N(C[6a]C[5,6a]C[6a])(SN)	N(C[6a]C[5,6a]C[6a])(SN)	S(NC[6a])2	N(C[6a]C[5,6a]C[6a])(SN)	N(C[6a]C[5,6a]C[6a])(SN)	120.8560	0.000	1	120.8560	0.000	1	120.8560	0.000	1	117.8502	139.312	5	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	3:2:	3:2:	N-2:N-2:	Se-3:S-2:	Se-3:S-2:	S(NSe)2	N(SePd2)(SN)	N(SePd2)(SN)	S(NSe)2	N(SePd2)(SN)	N(SePd2)(SN)	122.7150	0.117	2	122.7150	0.014	2	122.7150	0.014	2	117.8502	139.312	5	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	4:2:	2:2:	N-2:N-2:	Si-4:S-2:	Se-2:S-2:	S(NSe)(NSi)	N(SiC3)(SN)	N(SeN)(SN)	S(NSe)(NSi)	N(SiC3)(SN)	N(SeN)(SN)	113.6200	0.352	2	113.6200	0.124	2	113.6200	0.124	2	113.6200	0.124	2	113.1187	73.884	33	113.1187	73.884	33
909	941	941	0:SP2_SP2_SP2	S	N	N	2:2:	4:2:	4:2:	N-2:N-2:	C-4:S-2:	C-4:S-2:	S(NC)2	N(CC3)(SN)	N(CC3)(SN)	S(NC)2	N(CC3)(SN)	N(CC3)(SN)	117.3840	0.000	2	117.3840	0.000	2	117.3840	0.000	2	117.3840	0.000	2	113.1187	73.884	33	113.1187	73.884	33
909	941	956	0:SP2_SP2_SP2	S	N	N	3:2:	4:2:	4:4:2:	N-3:N-2:	S-4:S-2:	S-4:C-4:S-2:	S(NCS)(NS)	N(SC[6a]OO)(SN)	N(SC[6a]OO)(CC[6]CH)(SN)	S(NCS)(NS)	N(SC[6a]OO)(SN)	N(SC[6a]OO)(CC[6]CH)(SN)	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1	105.8150	0.000	1
909	944	992	0:SP3_SP-NON_SP3	S	I	P	4:1:	2:	3:3:3:2:	P-4:I-1:	S-2:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	S(PC[6a]3)(I)	I(SP)	P(C[6a]C[6a]2)3(SI)	S(PC[6a]3)(I)	I(SP)	P(C[6a]C[6a]2)3(SI)	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1	105.4500	0.000	1
909	945	945	0:SP3_SP3_SP3	S	P	P	3:3:	3:2:2:	3:2:2:	P-3:P-3:	C[5]-3:S-2:S-2:	C[5]-3:S-2:S-2:	S(PC[5]S)2	P(C[5]N[5]2)(SP)2	P(C[5]N[5]2)(SP)2	S(PC[5]S)2	P(C[5]N[5]2)(SP)2	P(C[5]N[5]2)(SP)2	91.8905	0.610	4	91.8905	0.372	4	91.8905	0.372	4	91.8905	0.372	4	91.8905	0.372	4	91.8905	0.372	4
909	951	992	0:SP3_SP-NON_SP3	S	H	P	4:1:	2:	4:4:2:1:	P-4:H-1:	S-2:	C-4:C-4:S-2:S-1:	S(PCCS)(H)	H(SP)	P(CCHH)2(SH)(S)	S(PCCS)(H)	H(SP)	P(CCHH)2(SH)(S)	90.4114	1.149	2	90.4114	1.321	2	90.4114	1.321	2	90.4114	1.321	2	90.4114	1.321	2	90.4114	1.321	2
909	952	952	0:SP3_SP3_SP3	S	S	S	4:4:	2:1:1:1:	2:1:1:1:	S-4:S-4:	S-2:O-1:O-1:O-1:	S-2:O-1:O-1:O-1:	S(SO3)2	S(SS)(O)3	S(SS)(O)3	S(SO3)2	S(SS)(O)3	S(SS)(O)3	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1	105.9060	0.000	1
909	956	956	0:SP3_SP2_SP2	S	N	N	3:3:	3:3:2:	3:3:2:	N-3:N-3:	C-3:N-3:S-2:	C-3:N-3:S-2:	S(NCN)2	N(CC[6a]O)(NCC)(SN)	N(CC[6a]O)(NCC)(SN)	S(NCN)2	N(CC[6a]O)(NCC)(SN)	N(CC[6a]O)(NCC)(SN)	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1	108.5640	0.000	1
909	956	956	0:SP3_SP2_SP3	S	N	N	3:3:	4:4:2:	4:2:1:	N-3:N-3:	S-4:C-4:S-2:	S-4:S-2:H-1:	S(NCS)(NHS)	N(SC[6a]OO)(CC[6]CH)(SN)	N(SC[6a]OO)(SN)(H)	S(NCS)(NHS)	N(SC[6a]OO)(CC[6]CH)(SN)	N(SC[6a]OO)(SN)(H)	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1	106.4320	0.000	1
909	956	983	0:SP3_SP1_SP3	S	N	C	3:2:	4:4:2:	2:1:	N-3:C-2:	S-4:S-4:S-2:	S-2:N-1:	S(NSS)(CN)	N(SC[6a]OO)2(SC)	C(SN)(N)	S(NSS)(CN)	N(SC[6a]OO)2(SC)	C(SN)(N)	99.2674	0.000	1	99.2674	0.000	1	99.2674	0.000	1	99.2674	0.000	1	99.2674	0.000	1	99.2674	0.000	1
909	983	983	0:SP3_SP1_SP1	S	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:S-2:	C-2:S-2:	S(CC)2	C(CPt)(SC)	C(CPt)(SC)	S(CC)2	C(CPt)(SC)	C(CPt)(SC)	104.9960	0.000	1	104.9960	0.000	1	104.9960	0.000	1	104.9960	0.000	1	102.8740	9.006	2	102.8740	9.006	2
909	983	983	0:SP3_SP1_SP1	S	C	C	2:2:	3:2:	3:2:	C-2:C-2:	C[6]-3:S-2:	C-3:S-2:	S(CC[6])(CC)	C(C[6]C[6]2)(SC)	C(CCC)(SC)	S(CC[6])(CC)	C(C[6]C[6]2)(SC)	C(CCC)(SC)	100.7520	0.000	1	100.7520	0.000	1	100.7520	0.000	1	100.7520	0.000	1	102.8740	9.006	2	102.8740	9.006	2
909	984	984	0:SP3_SP-NON_SP-NON	S	Ga	Ga	4:4:	2:2:2:2:	2:1:1:1:	Ga-4:Ga-4:	S-2:S-2:S-2:S-2:	S-2:Cl-1:Cl-1:Cl-1:	S(GaCl3)(GaS3)	Ga(SC[5])3(SGa)	Ga(SGa)(Cl)3	S(GaCl3)(GaS3)	Ga(SC[5])3(SGa)	Ga(SGa)(Cl)3	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1	109.8870	0.000	1
909	990	990	0:SP2_SP2_SP2	S	As	As	2:2:	2:2:	2:2:	As-2:As-2:	S-2:S-2:	S-2:S-2:	S(AsS)2	As(SAs)2	As(SAs)2	S(AsS)2	As(SAs)2	As(SAs)2	101.1021	0.200	194	101.1021	0.040	194	101.1021	0.040	194	101.1021	0.040	194	101.1021	0.040	194	101.1021	0.040	194
909	992	992	0:SP3_SP3_SP3	S	P	P	4:4:	3:2:1:1:	3:2:1:1:	P-4:P-4:	N[6]-3:S-2:S-1:S-1:	N[6]-3:S-2:S-1:S-1:	S(PN[6]SS)2	P(N[6]C[6]2)(SP)(S)2	P(N[6]C[6]2)(SP)(S)2	S(PN[6]SS)2	P(N[6]C[6]2)(SP)(S)2	P(N[6]C[6]2)(SP)(S)2	112.1600	0.511	2	112.1600	0.261	2	112.1600	0.261	2	112.1600	0.261	2	106.8102	8.050	13	106.8102	8.050	13
909	992	992	0:SP3_SP3_SP3	S	P	P	4:4:	3:2:2:1:	3:2:2:1:	P-4:P-4:	C[6a]-3:O-2:S-2:S-1:	C[6a]-3:O-2:S-2:S-1:	S(PC[6a]OS)2	P(C[6a]C[6a]2)(OC)(SP)(S)	P(C[6a]C[6a]2)(OC)(SP)(S)	S(PC[6a]OS)2	P(C[6a]C[6a]2)(OC)(SP)(S)	P(C[6a]C[6a]2)(OC)(SP)(S)	105.8375	1.694	11	105.8375	2.869	11	105.8375	2.869	11	105.8375	2.869	11	106.8102	8.050	13	106.8102	8.050	13
910	643	863	0:SP-NON_SP2_SP2	Cl	C[6a]	O	3:3:1:1:	3:3:4:	4:	C[6a]-3:N-3:O-1:O-1:	C[6a]-3:C[6a]-3:Cl-4:	Cl-4:	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	C[6a](C[6a]C[6a]H)2(ClNOO)	O(ClC[6a]NO)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	C[6a](C[6a]C[6a]H)2(ClNOO){1|C<3>,2|H<1>}	O(ClC[6a]NO)	109.0425	0.264	2	109.0425	0.070	2	109.0425	0.070	2	109.0425	0.070	2	109.0425	0.070	2	109.0425	0.070	2
910	643	956	0:SP-NON_SP2_SP2	Cl	C[6a]	N	3:3:1:1:	3:3:4:	3:4:3:	C[6a]-3:N-3:O-1:O-1:	C[6a]-3:C[6a]-3:Cl-4:	C[6a]-3:Cl-4:C-3:	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	C[6a](C[6a]C[6a]H)2(ClNOO)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	C[6a](C[6a]C[6a]H)2(ClNOO){1|C<3>,2|H<1>}	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	105.3940	0.000	1	105.3940	0.000	1	105.3940	0.000	1	105.3940	0.000	1	105.3940	0.000	1	105.3940	0.000	1
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	1:1:1:1:	4:	4:	O-1:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(O)4	O(ClO3)	O(ClO3)	Cl(O)4	O(ClO3)	O(ClO3)	109.4285	2.955	9815	109.4285	8.733	9815	109.4285	8.733	9815	109.4285	8.733	9815	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OCa)(O)3	O(ClO3)	O(ClO3)	Cl(OCa)(O)3	O(ClO3)	O(ClO3)	110.2923	0.408	3	110.2923	0.166	3	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OCd)(O)3	O(ClO3)	O(ClO3)	Cl(OCd)(O)3	O(ClO3)	O(ClO3)	110.0393	0.824	6	110.0393	0.679	6	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OCo)(O)3	O(ClO3)	O(ClO3)	Cl(OCo)(O)3	O(ClO3)	O(ClO3)	109.3610	3.833	3	109.3610	14.690	3	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OCu)(O)3	O(ClO3)	O(ClO3)	Cl(OCu)(O)3	O(ClO3)	O(ClO3)	109.2647	1.035	3	109.2647	1.072	3	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OFe)(O)3	O(ClO3)	O(ClO3)	Cl(OFe)(O)3	O(ClO3)	O(ClO3)	110.4303	1.492	12	110.4303	2.227	12	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OLi)(O)3	O(ClO3)	O(ClO3)	Cl(OLi)(O)3	O(ClO3)	O(ClO3)	108.9053	1.698	3	108.9053	2.883	3	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OMn)(O)3	O(ClO3)	O(ClO3)	Cl(OMn)(O)3	O(ClO3)	O(ClO3)	110.5109	1.214	26	110.5109	1.475	26	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(ONi)(O)3	O(ClO3)	O(ClO3)	Cl(ONi)(O)3	O(ClO3)	O(ClO3)	110.7427	3.888	3	110.7427	15.119	3	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(ORe)(O)3	O(ClO3)	O(ClO3)	Cl(ORe)(O)3	O(ClO3)	O(ClO3)	111.3890	1.778	6	111.3890	3.162	6	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:1:1:1:	4:	4:	O-2:O-1:O-1:O-1:	Cl-4:	Cl-4:	Cl(OSr)(O)3	O(ClO3)	O(ClO3)	Cl(OSr)(O)3	O(ClO3)	O(ClO3)	109.8265	0.087	2	109.8265	0.008	2	110.3339	2.575	67	110.3339	2.575	67	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	2:2:1:1:	4:	4:	O-2:O-2:O-1:O-1:	Cl-4:	Cl-4:	Cl(OLi)2(O)2	O(ClO3)	O(ClO3)	Cl(OLi)2(O)2	O(ClO3)	O(ClO3)	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	108.1070	0.000	1	109.4356	8.708	9884	109.4356	8.708	9884
910	863	863	0:SP-NON_SP2_SP2	Cl	O	O	3:3:1:1:	4:	4:	C[6a]-3:N-3:O-1:O-1:	Cl-4:	Cl-4:	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	O(ClC[6a]NO)	O(ClC[6a]NO)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	O(ClC[6a]NO)	O(ClC[6a]NO)	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	109.4356	8.708	9884	109.4356	8.708	9884
910	863	956	0:SP-NON_SP2_SP2	Cl	O	N	3:3:1:1:	4:	3:4:3:	C[6a]-3:N-3:O-1:O-1:	Cl-4:	C[6a]-3:Cl-4:C-3:	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	O(ClC[6a]NO)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	O(ClC[6a]NO)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	105.7570	0.181	2	105.7570	0.033	2	105.7570	0.033	2	105.7570	0.033	2	105.7570	0.033	2	105.7570	0.033	2
911	542	542	0:SPD6_SP2_SP2	Si	N[5]	N[5]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	Si-6:C[5]-3:C[5]-3:	Si-6:C[5]-3:C[5]-3:	Si(N[5]C[5]2)4(Cl)2	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H)	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H)	Si(N[5]C[5]2)4(Cl)2	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	119.5257	45.748	6	119.5257	2092.861	6	119.5257	2092.861	6	119.5257	2092.861	6	119.5257	2092.861	6	119.5257	2092.861	6
911	542	790	0:SPD6_SP-NON_SP2	Si	N[5]	Cl	3:3:3:3:1:1:	6:3:3:	6:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	Si-6:C[5]-3:C[5]-3:	Si-6:	Si(N[5]C[5]2)4(Cl)2	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H)	Cl(SiN[5]4Cl)	Si(N[5]C[5]2)4(Cl)2	N[5](SiN[5]3Cl2)(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>}	Cl(SiN[5]4Cl)	90.0056	0.662	8	90.0056	0.438	8	90.0056	0.438	8	90.0056	0.438	8	90.0056	0.438	8	90.0056	0.438	8
911	790	790	0:SPD6_SP-NON_SP-NON	Si	Cl	Cl	3:3:1:1:1:1:	6:	6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	Si-6:	Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	Cl(SiC[5]2ClHH)	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	Cl(SiC[5]2ClHH)	179.2510	0.000	1	179.2510	0.000	1	179.2510	0.000	1	134.6780	2640.212	4	130.6682	2176.965	11	130.6682	2176.965	11
911	790	790	0:SPD6_SP-NON_SP-NON	Si	Cl	Cl	3:3:1:1:1:1:	6:	6:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	Si-6:	Si-6:	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	Cl(SiN[6]2Cl2H)	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	Cl(SiN[6]2Cl2H)	119.8204	51.340	3	119.8204	2635.818	3	119.8204	2635.818	3	134.6780	2640.212	4	130.6682	2176.965	11	130.6682	2176.965	11
911	790	790	0:SPD6_SP-NON_SP-NON	Si	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:Cl-1:Cl-1:	Si-6:	Si-6:	Si(N[5]C[5]2)4(Cl)2	Cl(SiN[5]4Cl)	Cl(SiN[5]4Cl)	Si(N[5]C[5]2)4(Cl)2	Cl(SiN[5]4Cl)	Cl(SiN[5]4Cl)	178.6380	0.000	1	178.6380	0.000	1	178.6380	0.000	1	178.6380	0.000	1	130.6682	2176.965	11	130.6682	2176.965	11
911	790	790	0:SPD6_SP-NON_SP-NON	Si	Cl	Cl	4:4:1:1:1:1:	6:	6:	P-4:P-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si-6:	Si-6:	Si(PC3)2(Cl)4	Cl(SiCl3PP)	Cl(SiCl3PP)	Si(PC3)2(Cl)4	Cl(SiCl3PP)	Cl(SiCl3PP)	120.0000	46.477	6	120.0000	2160.146	6	120.0000	2160.146	6	120.0000	2160.146	6	130.6682	2176.965	11	130.6682	2176.965	11
911	790	818	0:SPD6_SP-NON_SP2	Si	Cl	C[5]	3:3:1:1:1:1:	6:	3:3:6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	Si-6:	N[5]-3:N[5]-3:Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH)	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH){2|H<1>,4|C<3>}	90.0012	0.878	4	90.0012	0.771	4	90.0012	0.771	4	90.0012	0.771	4	90.0012	0.771	4	90.0012	0.771	4
911	790	856	0:SPD6_SP-NON_SP2	Si	Cl	N[6]	3:3:1:1:1:1:	6:	6:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	Si-6:	Si-6:C[6]-3:C[6]-3:	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	89.9661	0.607	6	89.9661	0.368	6	89.9661	0.368	6	89.9661	0.368	6	89.9661	0.368	6	89.9661	0.368	6
911	790	951	0:SPD6_SP-NON_SP-NON	Si	Cl	H	3:3:1:1:1:1:	6:	6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	Si-6:	Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	H(SiC[5]2Cl2H)	Si(C[5]N[5]2)2(Cl)2(H)2	Cl(SiC[5]2ClHH)	H(SiC[5]2Cl2H)	89.9992	0.525	4	89.9992	0.276	4	89.9992	0.276	4	102.5717	1121.694	7	102.5717	1121.694	7	102.5717	1121.694	7
911	790	951	0:SPD6_SP-NON_SP-NON	Si	Cl	H	3:3:1:1:1:1:	6:	6:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	Si-6:	Si-6:	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	H(SiN[6]2Cl3)	Si(N[6]C[6]2)2(Cl)3(H)	Cl(SiN[6]2Cl2H)	H(SiN[6]2Cl3)	119.3350	51.254	3	119.3350	2627.019	3	119.3350	2627.019	3	102.5717	1121.694	7	102.5717	1121.694	7	102.5717	1121.694	7
911	790	992	0:SPD6_SP-NON_SP3	Si	Cl	P	4:4:1:1:1:1:	6:	6:4:4:4:	P-4:P-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si-6:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Cl)4	Cl(SiCl3PP)	P(SiCl4P)(CH3)3	Si(PC3)2(Cl)4	Cl(SiCl3PP)	P(SiCl4P)(CH3)3	90.0000	2.477	4	90.0000	6.137	4	90.0000	5.559	8	90.0000	5.559	8	90.0000	5.559	8	90.0000	5.559	8
911	790	992	0:SPD6_SP-NON_SP3	Si	Cl	P	4:4:1:1:1:1:	6:	6:4:4:4:	P-4:P-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si-6:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Cl)4	Cl(SiCl3PP)	P(SiCl4P)(CHHP)(CH3)2	Si(PC3)2(Cl)4	Cl(SiCl3PP)	P(SiCl4P)(CHHP)(CH3)2	90.0000	2.614	4	90.0000	6.833	4	90.0000	5.559	8	90.0000	5.559	8	90.0000	5.559	8	90.0000	5.559	8
911	818	818	0:SPD6_SP2_SP2	Si	C[5]	C[5]	3:3:1:1:1:1:	3:3:6:	3:3:6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	N[5]-3:N[5]-3:Si-6:	N[5]-3:N[5]-3:Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH)	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH)	Si(C[5]N[5]2)2(Cl)2(H)2	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH){2|H<1>,4|C<3>}	179.1810	0.000	1	179.1810	0.000	1	179.1810	0.000	1	179.1810	0.000	1	179.1810	0.000	1	179.1810	0.000	1
911	818	951	0:SPD6_SP-NON_SP2	Si	C[5]	H	3:3:1:1:1:1:	3:3:6:	6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	N[5]-3:N[5]-3:Si-6:	Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH)	H(SiC[5]2Cl2H)	Si(C[5]N[5]2)2(Cl)2(H)2	C[5](N[5]C[6a]C[5])2(SiC[5]Cl2HH){2|H<1>,4|C<3>}	H(SiC[5]2Cl2H)	89.9999	1.388	4	89.9999	1.928	4	89.9999	1.928	4	89.9999	1.928	4	89.9999	1.928	4	89.9999	1.928	4
911	830	830	0:SPD6_SP-NON_SP-NON	Si	F	F	1:1:1:1:1:1:	6:	6:	F-1:F-1:F-1:F-1:F-1:F-1:	Si-6:	Si-6:	Si(F)6	F(SiF5)	F(SiF5)	Si(F)6	F(SiF5)	F(SiF5)	105.4809	33.794	506	105.4809	1142.007	506	105.4809	1142.007	506	105.4809	1142.007	506	105.9646	1163.691	530	105.9646	1163.691	530
911	830	830	0:SPD6_SP-NON_SP-NON	Si	F	F	2:2:1:1:1:1:	6:	6:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:	Si-6:	Si(ON[6])2(F)4	F(SiF3OO)	F(SiF3OO)	Si(ON[6])2(F)4	F(SiF3OO)	F(SiF3OO)	106.0632	31.985	6	106.0632	1023.034	6	115.2920	1608.753	18	115.2920	1608.753	18	105.9646	1163.691	530	105.9646	1163.691	530
911	830	830	0:SPD6_SP-NON_SP-NON	Si	F	F	2:2:1:1:1:1:	6:	6:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:	Si-6:	Si(OP)2(F)4	F(SiF3OO)	F(SiF3OO)	Si(OP)2(F)4	F(SiF3OO)	F(SiF3OO)	119.9063	44.176	12	119.9063	1951.555	12	115.2920	1608.753	18	115.2920	1608.753	18	105.9646	1163.691	530	105.9646	1163.691	530
911	830	830	0:SPD6_SP-NON_SP-NON	Si	F	F	3:1:1:1:1:1:	6:	6:	N[6]-3:F-1:F-1:F-1:F-1:F-1:	Si-6:	Si-6:	Si(N[6]C[6]2)(F)5	F(SiN[6]F4)	F(SiN[6]F4)	Si(N[6]C[6]2)(F)5	F(SiN[6]F4)	F(SiN[6]F4)	118.7777	42.097	6	118.7777	1772.143	6	118.7777	1772.143	6	118.7777	1772.143	6	105.9646	1163.691	530	105.9646	1163.691	530
911	830	856	0:SPD6_SP-NON_SP2	Si	F	N[6]	3:1:1:1:1:1:	6:	3:3:6:	N[6]-3:F-1:F-1:F-1:F-1:F-1:	Si-6:	C[6]-3:C[6]-3:Si-6:	Si(N[6]C[6]2)(F)5	F(SiN[6]F4)	N[6](C[6]C[6]H)2(SiF5)	Si(N[6]C[6]2)(F)5	F(SiN[6]F4)	N[6](C[6]C[6]H)2(SiF5){1|C<3>,2|H<1>}	117.6914	53.962	3	117.6914	2911.948	3	117.6914	2911.948	3	117.6914	2911.948	3	117.6914	2911.948	3	117.6914	2911.948	3
911	830	893	0:SPD6_SP-NON_SP3	Si	F	O	2:2:1:1:1:1:	6:	3:6:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:	N[6]-3:Si-6:	Si(ON[6])2(F)4	F(SiF3OO)	O(N[6]C[6]2)(SiF4O)	Si(ON[6])2(F)4	F(SiF3OO)	O(N[6]C[6]2)(SiF4O)	109.4806	40.255	8	109.4806	1620.477	8	109.4806	1620.477	8	109.4806	1620.477	8	96.4936	581.599	24	96.4936	581.599	24
911	830	893	0:SPD6_SP-NON_SP3	Si	F	O	2:2:1:1:1:1:	6:	4:6:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:	P-4:Si-6:	Si(OP)2(F)4	F(SiF3OO)	O(PC[6a]3)(SiF4O)	Si(OP)2(F)4	F(SiF3OO)	O(PC[6a]3)(SiF4O)	90.0001	0.756	12	90.0001	0.572	12	90.0001	0.572	12	90.0001	0.572	12	96.4936	581.599	24	96.4936	581.599	24
911	830	893	0:SPD6_SP-NON_SP3	Si	F	O	2:2:1:1:1:1:	6:	6:4:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:	Si-6:P-4:	Si(OP)2(F)4	F(SiF3OO)	O(SiF4O)(PC3)	Si(OP)2(F)4	F(SiF3OO)	O(SiF4O)(PC3)	90.0000	1.032	4	90.0000	1.065	4	90.0000	1.065	4	90.0000	1.065	4	96.4936	581.599	24	96.4936	581.599	24
911	856	856	0:SPD6_SP2_SP2	Si	N[6]	N[6]	3:3:1:1:1:1:	6:3:3:	6:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:C[6]-3:C[6]-3:	Si(N[6]C[6]2)2(Cl)3(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	Si(N[6]C[6]2)2(Cl)3(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	179.7440	0.000	1	179.7440	0.000	1	179.7440	0.000	1	179.7440	0.000	1	124.5957	2074.680	13	124.5957	2074.680	13
911	856	856	0:SPD6_SP2_SP2	Si	N[6]	N[6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:C[6]-3:C[6]-3:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	120.0000	51.962	3	120.0000	1963.762	12	120.0000	1963.762	12	120.0000	1963.762	12	124.5957	2074.680	13	124.5957	2074.680	13
911	856	856	0:SPD6_SP2_SP2	Si	N[6]	N[6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:C[6]-3:C[6]-3:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	120.0000	51.963	3	120.0000	1963.762	12	120.0000	1963.762	12	120.0000	1963.762	12	124.5957	2074.680	13	124.5957	2074.680	13
911	856	856	0:SPD6_SP2_SP2	Si	N[6]	N[6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:C[6]-3:C[6]-3:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	120.0000	46.478	6	120.0000	1963.762	12	120.0000	1963.762	12	120.0000	1963.762	12	124.5957	2074.680	13	124.5957	2074.680	13
911	856	951	0:SPD6_SP-NON_SP2	Si	N[6]	H	3:3:1:1:1:1:	6:3:3:	6:	N[6]-3:N[6]-3:Cl-1:Cl-1:Cl-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:	Si(N[6]C[6]2)2(Cl)3(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2	H(SiN[6]2Cl3)	Si(N[6]C[6]2)2(Cl)3(H)	N[6](SiN[6]Cl3H)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(SiN[6]2Cl3)	90.1001	1.002	2	90.1001	1.003	2	90.1001	1.003	2	90.1001	1.003	2	90.0111	1.662	18	90.0111	1.662	18
911	856	951	0:SPD6_SP-NON_SP2	Si	N[6]	H	3:3:3:3:1:1:	6:3:3:	6:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(SiN[6]4H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|H<1>}	H(SiN[6]4H)	90.0000	2.183	4	90.0000	1.815	16	90.0000	1.815	16	90.0000	1.815	16	90.0111	1.662	18	90.0111	1.662	18
911	856	951	0:SPD6_SP-NON_SP2	Si	N[6]	H	3:3:3:3:1:1:	6:3:3:	6:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(SiN[6]4H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	H(SiN[6]4H)	90.0000	1.042	4	90.0000	1.815	16	90.0000	1.815	16	90.0000	1.815	16	90.0111	1.662	18	90.0111	1.662	18
911	856	951	0:SPD6_SP-NON_SP2	Si	N[6]	H	3:3:3:3:1:1:	6:3:3:	6:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:C[6]-3:C[6]-3:	Si-6:	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2	H(SiN[6]4H)	Si(N[6]C[6]2)4(H)2	N[6](SiN[6]3HH)(C[6]C[6]H)2{1|C<3>,2|H<1>}	H(SiN[6]4H)	90.0000	1.176	8	90.0000	1.815	16	90.0000	1.815	16	90.0000	1.815	16	90.0111	1.662	18	90.0111	1.662	18
911	893	893	0:SPD6_SP2_SP2	Si	O	O	2:2:2:2:2:2:	6:3:	6:3:	N-2:N-2:N-2:N-2:O-2:O-2:	Si-6:C-3:	Si-6:C-3:	Si(NC)4(OC)2	O(SiN4O)(CCC)	O(SiN4O)(CCC)	Si(NC)4(OC)2	O(SiN4O)(CCC)	O(SiN4O)(CCC)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
911	893	893	0:SPD6_SP3_SP3	Si	O	O	2:2:1:1:1:1:	3:6:	3:6:	O-2:O-2:F-1:F-1:F-1:F-1:	N[6]-3:Si-6:	N[6]-3:Si-6:	Si(ON[6])2(F)4	O(N[6]C[6]2)(SiF4O)	O(N[6]C[6]2)(SiF4O)	Si(ON[6])2(F)4	O(N[6]C[6]2)(SiF4O)	O(N[6]C[6]2)(SiF4O)	87.9129	0.000	1	87.9129	0.000	1	87.9129	0.000	1	87.9129	0.000	1	156.9517	2118.384	4	156.9517	2118.384	4
911	893	893	0:SPD6_SP3_SP3	Si	O	O	2:2:1:1:1:1:	4:6:	4:6:	O-2:O-2:F-1:F-1:F-1:F-1:	P-4:Si-6:	P-4:Si-6:	Si(OP)2(F)4	O(PC[6a]3)(SiF4O)	O(PC[6a]3)(SiF4O)	Si(OP)2(F)4	O(PC[6a]3)(SiF4O)	O(PC[6a]3)(SiF4O)	179.9470	0.075	2	179.9470	0.006	2	179.9470	0.006	2	179.9470	0.006	2	156.9517	2118.384	4	156.9517	2118.384	4
911	893	893	0:SPD6_SP3_SP3	Si	O	O	2:2:1:1:1:1:	6:4:	6:4:	O-2:O-2:F-1:F-1:F-1:F-1:	Si-6:P-4:	Si-6:P-4:	Si(OP)2(F)4	O(SiF4O)(PC3)	O(SiF4O)(PC3)	Si(OP)2(F)4	O(SiF4O)(PC3)	O(SiF4O)(PC3)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	156.9517	2118.384	4	156.9517	2118.384	4
911	893	941	0:SPD6_SP2_SP2	Si	O	N	2:2:2:2:2:2:	6:3:	6:2:	N-2:N-2:N-2:N-2:O-2:O-2:	Si-6:C-3:	Si-6:C-2:	Si(NC)4(OC)2	O(SiN4O)(CCC)	N(SiN3OO)(CS)	Si(NC)4(OC)2	O(SiN4O)(CCC)	N(SiN3OO)(CS)	90.0000	2.986	4	90.0000	8.915	4	90.0000	8.915	4	90.0000	8.915	4	90.0000	8.915	4	90.0000	8.915	4
911	924	924	0:SPD6_SP-NON_SP-NON	Si	Br	Br	4:4:1:1:1:1:	6:	6:	P-4:P-4:Br-1:Br-1:Br-1:Br-1:	Si-6:	Si-6:	Si(PC3)2(Br)4	Br(SiBr3PP)	Br(SiBr3PP)	Si(PC3)2(Br)4	Br(SiBr3PP)	Br(SiBr3PP)	108.0000	40.252	5	108.0000	1620.204	5	108.0000	1620.204	5	108.0000	1620.204	5	108.0000	1620.204	5	108.0000	1620.204	5
911	924	992	0:SPD6_SP-NON_SP3	Si	Br	P	4:4:1:1:1:1:	6:	6:4:4:4:	P-4:P-4:Br-1:Br-1:Br-1:Br-1:	Si-6:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Br)4	Br(SiBr3PP)	P(SiBr4P)(CH3)3	Si(PC3)2(Br)4	Br(SiBr3PP)	P(SiBr4P)(CH3)3	90.0000	2.678	8	90.0000	7.174	8	90.0000	7.174	8	90.0000	7.174	8	90.0000	7.174	8	90.0000	7.174	8
911	941	941	0:SPD6_SP2_SP2	Si	N	N	2:2:2:2:2:2:	6:2:	6:2:	N-2:N-2:N-2:N-2:N-2:N-2:	Si-6:C-2:	Si-6:C-2:	Si(NC)6	N(SiN5)(CO)	N(SiN5)(CO)	Si(NC)6	N(SiN5)(CO)	N(SiN5)(CO)	102.8571	34.018	7	102.8571	1157.228	7	102.8571	1068.200	14	105.0000	1174.008	24	105.0000	1174.008	24	105.0000	1174.008	24
911	941	941	0:SPD6_SP2_SP2	Si	N	N	2:2:2:2:2:2:	6:2:	6:2:	N-2:N-2:N-2:N-2:N-2:N-2:	Si-6:C-2:	Si-6:C-2:	Si(NC)6	N(SiN5)(CS)	N(SiN5)(CS)	Si(NC)6	N(SiN5)(CS)	N(SiN5)(CS)	102.8571	34.018	7	102.8571	1157.205	7	102.8571	1068.200	14	105.0000	1174.008	24	105.0000	1174.008	24	105.0000	1174.008	24
911	941	941	0:SPD6_SP2_SP2	Si	N	N	2:2:2:2:2:2:	6:2:	6:2:	N-2:N-2:N-2:N-2:N-2:N-2:	Si-6:N-2:	Si-6:N-2:	Si(NN)6	N(SiN5)(NN)	N(SiN5)(NN)	Si(NN)6	N(SiN5)(NN)	N(SiN5)(NN)	102.8571	34.020	7	102.8571	1157.334	7	102.8571	1157.334	7	105.0000	1174.008	24	105.0000	1174.008	24	105.0000	1174.008	24
911	941	941	0:SPD6_SP2_SP2	Si	N	N	2:2:2:2:2:2:	6:2:	6:2:	N-2:N-2:N-2:N-2:O-2:O-2:	Si-6:C-2:	Si-6:C-2:	Si(NC)4(OC)2	N(SiN3OO)(CS)	N(SiN3OO)(CS)	Si(NC)4(OC)2	N(SiN3OO)(CS)	N(SiN3OO)(CS)	120.0000	51.962	3	120.0000	2700.073	3	120.0000	2700.073	3	105.0000	1174.008	24	105.0000	1174.008	24	105.0000	1174.008	24
911	951	951	0:SPD6_SP-NON_SP-NON	Si	H	H	3:3:1:1:1:1:	6:	6:	C[5]-3:C[5]-3:Cl-1:Cl-1:H-1:H-1:	Si-6:	Si-6:	Si(C[5]N[5]2)2(Cl)2(H)2	H(SiC[5]2Cl2H)	H(SiC[5]2Cl2H)	Si(C[5]N[5]2)2(Cl)2(H)2	H(SiC[5]2Cl2H)	H(SiC[5]2Cl2H)	178.4030	0.000	1	178.4030	0.000	1	178.4030	0.000	1	178.4030	0.000	1	179.6806	0.510	5	179.6806	0.510	5
911	951	951	0:SPD6_SP-NON_SP-NON	Si	H	H	3:3:3:3:1:1:	6:	6:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:H-1:H-1:	Si-6:	Si-6:	Si(N[6]C[6]2)4(H)2	H(SiN[6]4H)	H(SiN[6]4H)	Si(N[6]C[6]2)4(H)2	H(SiN[6]4H)	H(SiN[6]4H)	180.0000	0.000	4	180.0000	0.000	4	180.0000	0.000	4	180.0000	0.000	4	179.6806	0.510	5	179.6806	0.510	5
911	992	992	0:SPD6_SP3_SP3	Si	P	P	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P-4:P-4:Br-1:Br-1:Br-1:Br-1:	Si-6:C-4:C-4:C-4:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Br)4	P(SiBr4P)(CH3)3	P(SiBr4P)(CH3)3	Si(PC3)2(Br)4	P(SiBr4P)(CH3)3	P(SiBr4P)(CH3)3	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3
911	992	992	0:SPD6_SP3_SP3	Si	P	P	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P-4:P-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si-6:C-4:C-4:C-4:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Cl)4	P(SiCl4P)(CH3)3	P(SiCl4P)(CH3)3	Si(PC3)2(Cl)4	P(SiCl4P)(CH3)3	P(SiCl4P)(CH3)3	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	2	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3
911	992	992	0:SPD6_SP3_SP3	Si	P	P	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P-4:P-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si-6:C-4:C-4:C-4:	Si-6:C-4:C-4:C-4:	Si(PC3)2(Cl)4	P(SiCl4P)(CHHP)(CH3)2	P(SiCl4P)(CHHP)(CH3)2	Si(PC3)2(Cl)4	P(SiCl4P)(CHHP)(CH3)2	P(SiCl4P)(CHHP)(CH3)2	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	2	180.0000	0.000	3	180.0000	0.000	3	180.0000	0.000	3
912	118	118	0:SP-NON_SP-NON_SP-NON	F[3,3]	F[3]	F[3]	7:2:2:	7:3:	7:3:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3]-7:F[3,3]-3:	C[3x3]-7:F[3,3]-3:	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1	136.2020	0.000	1
912	118	238	3:SP-NON_SP-NON_SPD7	F[3,3]	F[3]	C[3x3]	7:2:2:	7:3:	4:3:2:2:2:2:1:	C[3x3]-7:F[3]-2:F[3]-2:	C[3x3]-7:F[3,3]-3:	C[4]-4:F[3,3]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:F-1:	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3])	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F)	F[3,3](C[3x3]C[4]F[3]4F)(F[3]C[3x3])2{1|N<3>,2|C<4>}	F[3](C[3x3]F[3,3]C[4]F[3]3F)(F[3,3]C[3x3]F[3]){1|N<3>,2|C<4>}	C[3x3](C[4]C[4,5,6]N[4]C)(F[3,3]F[3]2)(F[3]F[3,3])2(F[3]F[3])2(F){1|H<1>,1|N<2>,2|C<4>}	68.8028	5.544	2	68.8028	30.730	2	68.8028	30.730	2	68.8028	30.730	2	68.8028	30.730	2	67.7131	11.839	4
912	118	238	3:SP-NON_SP-NON_SPD7	F[3,3]	F[3]	C[4x3]	7:3:2:	7:3:	3:3:3:2:2:2:2:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3]-7:F[3,3]-3:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	66.6234	0.190	2	66.6234	0.036	2	66.6234	0.036	2	66.6234	0.036	2	66.6234	0.036	2	67.7131	11.839	4
912	118	912	0:SP-NON_SP-NON_SP-NON	F[3,3]	F[3]	F[3,3]	7:3:2:	7:3:	7:3:2:	C[4x3]-7:F[3,3]-3:F[3]-2:	C[4x3]-7:F[3,3]-3:	C[4x3]-7:F[3,3]-3:F[3]-2:	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	F[3](C[4x3]F[3,3]2C[6a]F[3]3)(F[3,3]C[4x3]F[3,3]){2|C<3>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	122.6000	0.438	2	122.6000	0.192	2	122.6000	0.192	2	122.6000	0.192	2	122.6000	0.192	2	122.6000	0.192	2
912	238	912	3:SP-NON_SP-NON_SPD7	F[3,3]	C[4x3]	F[3,3]	7:3:2:	3:3:3:2:2:2:2:	7:3:2:	C[4x3]-7:F[3,3]-3:F[3]-2:	F[3,3]-3:F[3,3]-3:C[6a]-3:F[3]-2:F[3]-2:F[3]-2:F[3]-2:	C[4x3]-7:F[3,3]-3:F[3]-2:	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3])	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	C[4x3](F[3,3]F[3,3]F[3])2(C[6a]C[6a]2)(F[3]F[3,3])2(F[3]F[3])2{2|C<3>,2|H<1>}	F[3,3](C[4x3]F[3,3]C[6a]F[3]4)(F[3,3]C[4x3]F[3])(F[3]C[4x3]){2|C<3>}	61.0596	0.072	2	61.0596	0.005	2	61.0596	0.005	2	61.0596	0.005	2	61.0596	0.005	2	61.0596	0.005	2
913	74	643	0:SP-NON_SP2_SP2	Ga[4]	N[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4]-3:C[6a]-3:C[6a]-3:	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2)	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1	119.1960	0.000	1
913	74	913	4:SP-NON_SP-NON_SP2	Ga[4]	N[4]	Ga[4]	3:3:3:	3:3:3:	3:3:3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2)	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	N[4](Ga[4]C[6a]Ga[4])(N[4]C[6a]Ga[4])(C[6a]C[6a]2){2|H<1>,7|C<3>}	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	74.1868	0.000	1	74.1868	0.000	1	74.1868	0.000	1	74.1868	0.000	1	74.1868	0.000	1	74.1868	0.000	1
913	490	882	0:SP-NON_SP3_SP3	Ga[4]	C	P[4]	3:3:4:	3:4:4:4:	3:3:4:	P[4]-3:P[4]-3:C-4:	Ga[4]-3:Si-4:Si-4:Si-4:	Ga[4]-3:P[4]-3:C-4:	Ga[4](P[4]P[4]C)2(CSi3)	C(Ga[4]P[4]2)(SiC3)3	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3)	Ga[4](P[4]P[4]C)2(CSi3){1|C<4>}	C(Ga[4]P[4]2)(SiC3)3	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3){1|C<4>}	131.9617	0.413	4	131.9617	0.170	4	131.9617	0.170	4	131.9617	0.170	4	131.9617	0.170	4	131.9617	0.170	4
913	643	913	0:SP-NON_SP-NON_SP2	Ga[4]	C[6a]	Ga[4]	3:3:3:	3:3:3:	3:3:3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4]-3:C[6a]-3:C[6a]-3:	Ga[4]-3:N[4]-3:C[6a]-3:	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2)	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	C[6a](Ga[4]Ga[4]N[4])(C[6a]C[6a]2)2{1|N<3>,2|H<1>,7|C<3>}	Ga[4](Ga[4]C[6a]N[4])(N[4]C[6a]N[4])(C[6a]C[6a]2){9|C<3>}	166.6110	0.000	1	166.6110	0.000	1	166.6110	0.000	1	166.6110	0.000	1	166.6110	0.000	1	166.6110	0.000	1
913	878	917	4:SP-NON_SP-NON_SP3	Ga[4]	Ga[4]	P[4]	4:4:3:	3:3:3:3:	3:3:4:4:	Ga[4]-4:P[4]-4:P-3:	Ga[4]-3:Ga[4]-3:P-3:P-3:	Ga[4]-3:Ga[4]-3:C-4:C-4:	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	Ga[4](Ga[4]P[4]P)2(PCC)2	P[4](Ga[4]Ga[4]P)2(CC3)2	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	Ga[4](Ga[4]P[4]P)2(PCC)2{2|C<4>}	P[4](Ga[4]Ga[4]P)2(CC3)2{2|P<3>}	91.6873	1.737	2	91.6873	3.017	2	91.6873	3.017	2	91.6873	3.017	2	91.6873	3.017	2	91.6873	3.017	2
913	878	945	0:SP-NON_SP-NON_SP3	Ga[4]	Ga[4]	P	4:4:3:	3:3:3:3:	3:4:4:	Ga[4]-4:P[4]-4:P-3:	Ga[4]-3:Ga[4]-3:P-3:P-3:	Ga[4]-3:C-4:C-4:	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	Ga[4](Ga[4]P[4]P)2(PCC)2	P(Ga[4]Ga[4]P[4])(CC3)2	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	Ga[4](Ga[4]P[4]P)2(PCC)2{2|C<4>}	P(Ga[4]Ga[4]P[4])(CC3)2	156.7425	3.446	2	156.7425	11.873	2	156.7425	11.873	2	156.7425	11.873	2	156.7425	11.873	2	156.7425	11.873	2
913	882	882	4:SP-NON_SP3_SP3	Ga[4]	P[4]	P[4]	3:3:4:	3:3:4:	3:3:4:	P[4]-3:P[4]-3:C-4:	Ga[4]-3:P[4]-3:C-4:	Ga[4]-3:P[4]-3:C-4:	Ga[4](P[4]P[4]C)2(CSi3)	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3)	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3)	Ga[4](P[4]P[4]C)2(CSi3){1|C<4>}	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3){1|C<4>}	P[4](Ga[4]P[4]C)(P[4]P[4]C)(CC3){1|C<4>}	90.4405	0.304	2	90.4405	0.092	2	90.4405	0.092	2	90.4405	0.092	2	90.4405	0.092	2	90.4405	0.092	2
913	917	945	0:SP-NON_SP3_SP3	Ga[4]	P[4]	P	4:4:3:	3:3:4:4:	3:4:4:	Ga[4]-4:P[4]-4:P-3:	Ga[4]-3:Ga[4]-3:C-4:C-4:	Ga[4]-3:C-4:C-4:	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC)	P[4](Ga[4]Ga[4]P)2(CC3)2	P(Ga[4]Ga[4]P[4])(CC3)2	Ga[4](Ga[4]Ga[4]PP)(P[4]Ga[4]CC)(PCC){1|P<3>}	P[4](Ga[4]Ga[4]P)2(CC3)2{2|P<3>}	P(Ga[4]Ga[4]P[4])(CC3)2	107.8905	4.433	2	107.8905	19.650	2	107.8905	19.650	2	107.8905	19.650	2	107.8905	19.650	2	107.8905	19.650	2
914	14	14	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:3:	3:2:2:	3:2:2:	P[6]-3:P[6]-3:	N[6]-3:N[6]-2:O-2:	N[6]-3:N[6]-2:O-2:	N[6](P[6]N[6]O)2	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a])	N[6](P[6]N[6]O)2{1|P<3>,2|C<4>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	P[6](N[6]P[6]C)(N[6]P[6])(OC[6a]){1|N<3>,2|O<2>}	136.9155	0.715	2	136.9155	0.511	2	136.9155	0.511	2	136.9155	0.511	2	136.9155	0.511	2	136.9155	0.511	2
914	14	849	6:SP2_SP3_SP3	N[6]	P[6]	P[6]	3:4:	3:2:2:	2:2:1:1:	P[6]-3:P[6]-4:	C[5]-3:N[6]-2:N[6]-2:	N[6]-2:N[6]-2:Cl-1:Cl-1:	N[6](P[6]C[5]N[6])(P[6]N[6]Cl2)	P[6](C[5]N[5]2)(N[6]P[6])2	P[6](N[6]P[6])2(Cl)2	N[6](P[6]C[5]N[6])(P[6]N[6]Cl2){1|P<4>,2|N<3>}	P[6](C[5]N[5]2)(N[6]P[6])2{4|Cl<1>,1|N<2>,4|C<3>}	P[6](N[6]P[6])2(Cl)2{2|Cl<1>,1|C<3>,1|N<2>}	121.8010	0.390	2	121.8010	0.152	2	121.8010	0.152	2	121.8010	0.152	2	121.8010	0.152	2	121.8010	0.152	2
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	N[6](C[6]C[6])2{1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>}	120.6846	4.643	19	120.3068	21.885	21	118.0922	35.100	27	118.2053	32.790	29	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]C[6])(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	N[6](C[6]C[6])2{1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>,1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|C<2>,1|C<3>}	116.7175	4.601	2	120.3068	21.885	21	118.0922	35.100	27	118.2053	32.790	29	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	N[6](C[6]C[6])2{1|N<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<2>}	110.3412	1.512	6	110.3412	2.286	6	118.0922	35.100	27	118.2053	32.790	29	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	2:2:	2:2:	C[6]-2:C[6]-2:	C[6]-2:N[6]-2:	N[6]-2:N[6]-2:	N[6](C[6]C[6])(C[6]N[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](N[6]C[6])2	N[6](C[6]C[6])(C[6]N[6]){1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>}	C[6](N[6]C[6])2{1|C<2>}	119.7325	0.728	2	119.7325	0.529	2	119.7325	0.529	2	118.2053	32.790	29	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]C[6]I)(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	N[6](C[6]C[6])2{1|C<2>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]){1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|C<3>}	122.7460	0.000	1	122.7460	0.000	1	113.9093	34.877	4	113.9093	34.877	4	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	3:2:	2:2:	C[6]-2:C[6]-2:	C[6]-3:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]N[6]C)(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	N[6](C[6]C[6])2{1|C<1>,1|N<2>}	C[6](C[6]N[6]C)(N[6]C[6]){1|C<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<3>}	110.9637	0.507	3	110.9637	0.257	3	113.9093	34.877	4	113.9093	34.877	4	117.6386	33.031	34	117.6386	33.031	34
914	206	206	6:SP2_SP1_SP1	N[6]	C[6]	C[6]	2:2:	3:2:	3:2:	C[6]-2:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:	N[6](C[6]C[6])2	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6])2{1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|N<3>}	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	116.1210	0.000	1	117.6386	33.031	34	117.6386	33.031	34
914	206	643	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6a]	3:2:	2:3:	3:3:2:	C[6,6a]-3:C[6]-2:	N[6]-2:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]){2|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6,6]	3:2:	2:2:	3:3:2:	C[6,6]-3:C[6]-2:	N[6]-2:C[6]-2:	C[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6])	C[6](N[6]C[6,6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]){1|N<2>,3|C<2>}	C[6](N[6]C[6,6])(C[6]C[6]){2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6]){2|C<2>}	117.9213	0.716	3	117.9213	0.513	3	117.9213	0.513	3	117.9213	0.513	3	117.9213	0.513	3	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	C[6]-2:N[6]-2:C-1:	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6])(N[6]C[6])(C)	N[6](C[6]C[6]C)(C[6]C[6]){1|N<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<1>,1|C<2>}	C[6](C[6]N[6])(N[6]C[6])(C){1|C<2>}	111.8267	1.755	3	111.8267	3.080	3	111.8267	3.080	3	117.5787	30.109	7	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]O)(C[6]C[6]){1|C<2>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|O<1>}	C[6](N[6]C[6])2(O){1|C<2>}	121.5730	0.605	2	121.8928	0.264	4	121.8928	0.264	4	117.5787	30.109	7	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6]N[6]O)(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](N[6]C[6])2(O)	N[6](C[6]N[6]O)(C[6]C[6]){1|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<1>,1|N<2>,1|O<1>}	C[6](N[6]C[6])2(O){1|C<2>,1|N<1>}	122.2125	0.132	2	121.8928	0.264	4	121.8928	0.264	4	117.5787	30.109	7	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	2:2:3:	C[6]-3:C[6]-2:	N[6]-2:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6]N[6]N)(C[6]N[6])	C[6](N[6]C[6])2	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]N[6]N)(C[6]N[6]){1|C<3>}	C[6](N[6]C[6])2{1|N<2>,2|N<3>}	C[6](N[6]C[6])2(NC[6a]H){1|N<2>,1|N<3>}	112.0700	0.501	2	112.0700	0.251	2	112.0700	0.251	2	112.0700	0.251	2	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	C[6]-3:N[6]-2:S-2:	N[6](C[6]C[6]S)(C[6]C[6])	C[6](C[6]N[6])(N[6]C[6])	C[6](C[6]N[6]S)(N[6]C[6])(SNi)	N[6](C[6]C[6]S)(C[6]C[6]){1|N<2>,1|S<2>}	C[6](C[6]N[6])(N[6]C[6]){1|C<3>,1|S<2>}	C[6](C[6]N[6]S)(N[6]C[6])(SNi){1|C<2>}	116.4607	1.770	10	116.4607	3.132	10	116.4607	3.132	10	115.9897	2.826	14	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-2:N[6]-2:	N[5]-3:N[6]-2:N[6]-2:	N[6](C[6]N[5]N[6])(C[6]C[6])	C[6](C[6]C[6])(N[6]C[6])	C[6](N[5]C[5,6]C[5])(N[6]C[6])2	N[6](C[6]N[5]N[6])(C[6]C[6]){1|C<2>,2|C<3>}	C[6](C[6]C[6])(N[6]C[6]){1|N<2>,1|N<3>}	C[6](N[5]C[5,6]C[5])(N[6]C[6])2{1|O<2>,2|C<2>,2|C<3>}	115.1640	0.496	2	115.1640	0.246	2	115.1640	0.246	2	115.9897	2.826	14	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:C[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]N[6])	C[6](N[6]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(C[6]N[6]){3|C<3>}	C[6](N[6]C[6])2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])2{1|N<2>,2|H<1>,3|C<3>}	114.4605	0.209	2	114.4605	0.044	2	114.4605	0.044	2	115.9897	2.826	14	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-2:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){1|C<3>}	117.1110	0.000	1	117.6205	0.519	2	117.6205	0.519	2	117.6205	0.519	2	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	2:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-2:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6])(N[6]C[6])(H){2|C<3>}	118.1300	0.000	1	117.6205	0.519	2	117.6205	0.519	2	117.6205	0.519	2	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	116.3540	0.000	1	116.3540	0.000	1	117.0866	7.720	5	117.0866	7.720	5	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<3>}	115.0420	0.000	1	117.2698	10.070	4	117.0866	7.720	5	117.0866	7.720	5	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|S<2>}	121.9780	0.000	1	117.2698	10.070	4	117.0866	7.720	5	117.0866	7.720	5	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	116.0000	0.000	1	117.2698	10.070	4	117.0866	7.720	5	117.0866	7.720	5	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){2|C<3>}	116.0590	0.000	1	117.2698	10.070	4	117.0866	7.720	5	117.0866	7.720	5	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-2:	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CC)	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CC){1|C<3>,1|H<1>}	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	118.7210	0.076	2	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	N[5a]-3:C[6]-2:N[6]-2:	N[6](C[6]N[5a]C[6])(C[6]C[6])	C[6](C[6]N[5a]N[6])(N[6]C[6])	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6])	N[6](C[6]N[5a]C[6])(C[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5a]N[6])(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]N[6])(N[6]C[6]){5|C<3>}	118.5260	0.000	1	118.5260	0.000	1	118.5260	0.000	1	118.7210	0.076	2	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	117.8735	0.057	2	117.8735	0.003	2	117.7253	0.068	3	117.7253	0.068	3	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:2:4:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]C)(C[6]C[6])	C[6](C[6]C[6]O)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	N[6](C[6]C[6]C)(C[6]C[6]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	117.4290	0.000	1	117.4290	0.000	1	117.7253	0.068	3	117.7253	0.068	3	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[5a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,3|C<3>}	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	117.3243	0.297	3	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:C[6]-2:	C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	117.6385	0.040	2	117.6385	0.002	2	117.6385	0.002	2	117.3243	0.297	3	116.8248	9.107	39	116.9031	8.548	42
914	206	762	6:SP2_SP1_SP2	N[6]	C[6]	C[6]	3:2:	4:2:	3:2:1:	C[6]-3:C[6]-2:	C[6]-4:N[6]-2:	N[6]-3:N[6]-2:C-1:	N[6](C[6]N[6]C)(C[6]C[6])	C[6](C[6]C[6]HH)(N[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(C)	N[6](C[6]N[6]C)(C[6]C[6]){1|C<2>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6]){1|C<1>,1|N<3>}	C[6](N[6]C[6]H)(N[6]C[6])(C){1|C<4>}	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	116.8248	9.107	39	116.9031	8.548	42
914	206	818	6:SP2_SP1_SP2	N[6]	C[6]	C[5,6]	3:2:	2:2:	3:2:2:	C[5,6]-3:C[6]-2:	N[6]-2:C[6]-2:	N[5,6]-3:C[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]C[5])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6])	N[6](C[5,6]N[5,6]C[5])(C[6]C[6]){3|C<2>}	C[6](N[6]C[5,6])(C[6]C[6]){1|C<2>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5])(N[6]C[6]){1|C<2>}	122.2550	0.000	1	122.2550	0.000	1	122.2550	0.000	1	122.2550	0.000	1	119.6475	13.598	2	119.6475	13.598	2
914	206	818	6:SP2_SP1_SP2	N[6]	C[6]	C[5,6]	3:2:	2:3:	3:3:2:	C[5,6]-3:C[6]-2:	N[6]-2:C[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6])	C[6](N[6]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H){2|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6])(N[6]C[6]){1|N<2>,3|C<3>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	119.6475	13.598	2	119.6475	13.598	2
914	206	914	6:SP2_SP1_SP2	N[6]	C[6]	N[6]	2:2:	2:2:	2:2:	C[6]-2:N[6]-2:	N[6]-2:N[6]-2:	C[6]-2:N[6]-2:	N[6](C[6]N[6])(N[6]C[6])	C[6](N[6]N[6])2	N[6](C[6]N[6])(N[6]C[6])	N[6](C[6]N[6])(N[6]C[6]){1|N<2>}	C[6](N[6]N[6])2{1|C<2>}	N[6](C[6]N[6])(N[6]C[6]){1|N<2>}	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1
914	217	643	6:SP2_SP2_SP2	N[6]	N[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:N[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	N[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6,6a]){2|H<1>,3|C<3>}	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1	115.7420	0.000	1
914	217	762	6:SP2_SP2_SP2	N[6]	N[6,6a]	C[6]	3:3:	3:3:2:	2:2:1:	N[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:O[6]-2:H-1:	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H)	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6])	C[6](N[6]N[6,6a])(O[6]C[6])(H)	N[6](N[6,6a]C[6,6a]C[6a])(C[6]O[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]O)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]N[6,6a])(O[6]C[6])(H){1|C<4>,1|H<1>,2|C<3>}	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1	116.3360	0.000	1
914	286	286	6:SP2_SP2_SP2	N[6]	S[6]	S[6]	2:2:	2:2:	2:2:	S[6]-2:S[6]-2:	N[6]-2:N[6]-2:	N[6]-2:N[6]-2:	N[6](S[6]N[6])2	S[6](N[6]S[6])2	S[6](N[6]S[6])2	N[6](S[6]N[6])2{1|S<2>}	S[6](N[6]S[6])2{1|N<2>}	S[6](N[6]S[6])2{1|N<2>}	123.7577	0.503	3	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4
914	286	286	6:SP2_SP2_SP2	N[6]	S[6]	S[6]	2:2:	2:2:	2:2:	S[6]-2:S[6]-2:	N[6]-2:N[6]-2:	N[6]-2:N[6]-2:	N[6](S[6]N[6])2	S[6](N[6]S[6])2	S[6](N[6]S[6])2	N[6](S[6]N[6])2{1|S<3>}	S[6](N[6]S[6])2{2|N<2>}	S[6](N[6]S[6])2{2|N<2>}	123.4280	0.000	1	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4	123.6753	0.196	4
914	286	643	6:SP2_SP2_SP2	N[6]	S[6]	C[6,6a]	3:2:	2:2:	3:3:2:	C[6,6a]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6])	S[6](N[6]C[6,6a])(N[6]Se[6])	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]){1|Se<2>,1|F<1>,2|C<3>}	S[6](N[6]C[6,6a])(N[6]Se[6]){2|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(C[6a]C[6a]F)(N[6]S[6]){1|C<3>,1|N<2>,2|F<1>}	124.3915	0.714	4	124.3915	0.510	4	124.3915	0.510	4	124.3915	0.510	4	124.3915	0.510	4	124.3915	0.510	4
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	2:2:4:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]C)(S[6]N[6])	S[6](N[6]C[6])2	C[6](N[6]C[6])(N[6]S[6])(CF3)	N[6](C[6]N[6]C)(S[6]N[6]){1|C<3>}	S[6](N[6]C[6])2{1|C<3>,1|C<4>,1|N<2>}	C[6](N[6]C[6])(N[6]S[6])(CF3){1|C<3>,1|N<2>}	115.5816	0.426	8	115.5816	0.182	8	115.5816	0.182	8	115.5816	0.182	8	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:2:1:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6]C[6]N)(N[6]S[6])(Cl)	N[6](C[6]C[6]Cl)(S[6]N[6]){1|C<3>,1|N<2>}	S[6](N[6]C[6])2{2|Cl<1>,1|C<3>}	C[6](C[6]C[6]N)(N[6]S[6])(Cl){1|Cl<1>,1|N<2>}	121.9640	0.800	2	121.9640	0.641	2	121.9640	0.641	2	121.9640	0.641	2	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	S[6](N[6]C[6])2{1|C<3>,1|C<4>,1|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	118.8702	0.464	8	118.5495	0.491	11	117.9018	0.988	19	117.9018	0.988	19	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	S[6](N[6]C[6])2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	117.4470	0.000	1	118.5495	0.491	11	117.9018	0.988	19	117.9018	0.988	19	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]N[6]){3|C<3>}	S[6](N[6]C[6])2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	117.8175	0.541	2	118.5495	0.491	11	117.9018	0.988	19	117.9018	0.988	19	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:2:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|N<2>,2|C<3>}	S[6](N[6]C[6])2{1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6])(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	117.0114	0.524	8	117.0114	0.275	8	117.9018	0.988	19	117.9018	0.988	19	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]S[6])	N[6](C[6]C[6]N[6])(S[6]N[6]){1|Fe<5>,1|N<3>,2|C<3>}	S[6](N[6]C[6])2{1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	118.1110	0.010	2	118.1110	0.000	2	118.1110	0.000	2	117.5775	0.385	4	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	3:3:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|H<1>,1|N<2>,2|C<3>}	S[6](N[6]C[6])2{1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	117.0440	0.126	2	117.0440	0.016	2	117.0440	0.016	2	117.5775	0.385	4	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	2:2:	4:3:2:	C[6]-3:S[6]-2:	N[6]-2:N[6]-2:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[5,6]C[6a])(S[6]N[6])	S[6](N[6]C[6])2	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6])	N[6](C[6]C[5,6]C[6a])(S[6]N[6]){2|O<2>,3|C<3>}	S[6](N[6]C[6])2{1|C<4>,2|C<3>}	C[6](C[5,6]C[6]O[5]2)(C[6a]C[6a]2)(N[6]S[6]){1|N<2>,2|H<1>,5|C<3>}	123.3020	2.502	2	123.3020	6.259	2	123.3020	6.259	2	123.3020	6.259	2	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:S[6]-2:	C[6,6]-3:N[6]-2:	C[5a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[5a]N[6])(S[6]C[6,6])	S[6](C[6,6]C[6,6]C[6])(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6]){1|S<2>,3|C<3>}	S[6](C[6,6]C[6,6]C[6])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6]){1|H<1>,1|N<3>,3|C<3>}	119.5350	0.000	2	119.5350	0.000	2	119.5350	0.000	2	120.6352	1.514	5	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<3>,2|H<1>,3|C<3>}	120.7880	0.000	2	121.3687	1.012	3	121.3687	1.012	3	120.6352	1.514	5	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	122.5300	0.000	1	121.3687	1.012	3	121.3687	1.012	3	120.6352	1.514	5	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[5a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[5a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	117.3910	0.000	1	117.3910	0.000	1	117.3910	0.000	1	118.7411	2.133	18	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	119.3101	1.089	7	119.3101	1.186	7	119.3101	1.186	7	118.7411	2.133	18	118.3818	4.227	58	118.3818	4.227	58
914	286	762	6:SP2_SP2_SP2	N[6]	S[6]	C[6]	3:2:	3:2:	3:3:2:	C[6]-3:S[6]-2:	C[6,6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	118.4778	1.645	10	118.4778	2.706	10	118.4778	2.706	10	118.7411	2.133	18	118.3818	4.227	58	118.3818	4.227	58
914	286	922	6:SP2_SP2_SP3	N[6]	S[6]	S[6,6]	3:2:	2:2:	2:2:2:	S[6,6]-3:S[6]-2:	N[6]-2:N[6]-2:	N[6,6]-2:N[6]-2:N[6]-2:	N[6](S[6,6]N[6,6]N[6])(S[6]N[6])	S[6](N[6]S[6,6])2	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6])	N[6](S[6,6]N[6,6]N[6])(S[6]N[6]){1|C<3>,1|S<3>}	S[6](N[6]S[6,6])2{3|N<2>}	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6]){1|C<3>,2|N<2>}	119.8210	0.126	2	119.8210	0.016	2	119.8210	0.016	2	119.8210	0.016	2	119.8210	0.016	2	119.1513	0.632	4
914	286	922	6:SP2_SP2_SP3	N[6]	S[6]	S[6]	3:2:	2:2:	2:2:2:	S[6]-3:S[6]-2:	N[6]-2:N[6]-2:	N[6]-2:N[6]-2:N-2:	N[6](S[6]N[6]N)(S[6]N[6])	S[6](N[6]S[6])2	S[6](N[6]S[6])2(NP)	N[6](S[6]N[6]N)(S[6]N[6]){1|S<2>}	S[6](N[6]S[6])2{2|N<2>}	S[6](N[6]S[6])2(NP){1|N<2>}	118.4815	0.292	2	118.4815	0.085	2	118.4815	0.085	2	118.4815	0.085	2	118.4815	0.085	2	119.1513	0.632	4
914	286	975	6:SP2_SP2_SP3	N[6]	S[6]	Se[6]	2:2:	2:2:	3:2:	Se[6]-2:S[6]-2:	N[6]-2:N[6]-2:	C[6,6a]-3:N[6]-2:	N[6](Se[6]C[6,6a])(S[6]N[6])	S[6](N[6]C[6,6a])(N[6]Se[6])	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])	N[6](Se[6]C[6,6a])(S[6]N[6]){2|C<3>}	S[6](N[6]C[6,6a])(N[6]Se[6]){2|C<3>}	Se[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]){1|F<1>,1|N<2>,2|C<3>}	123.9183	0.588	4	123.9183	0.346	4	123.9183	0.346	4	123.9183	0.346	4	123.9183	0.346	4	123.9183	0.346	4
914	466	466	6:SP2_SP3_SP3	N[6,6]	C[6,6]	C[6,6]	4:4:	2:3:4:4:	2:3:4:4:	C[6,6]-4:C[6,6]-4:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	N[6,6](C[6,6]C[6a]P[6]2)2	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	N[6,6](C[6,6]C[6a]P[6]2)2{4|C<3>,4|O<1>,6|O<2>}	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	3:2:1:1:	3:3:2:1:	C[6]-4:C[6]-4:	C[6,6a]-3:N[6]-2:H-1:H-1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	110.6800	0.519	2	110.6800	0.269	2	110.6800	0.269	2	110.6800	0.269	2	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	3:3:2:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,5|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[5a,6]C[6a]C)(N[6]C[6])(H)2{1|H<1>,5|C<3>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	3:4:2:1:	C[6]-4:C[6]-4:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6]-3:C-4:N[6]-2:H-1:	N[6](C[6]C[5,6]HH)(C[6]C[6]CH)	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H)	N[6](C[6]C[5,6]HH)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,6]O[5]H)(N[6]C[6])(H)2{1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[5,6]O)(CC[6a]HH)(N[6]C[6])(H){2|C<4>,2|H<1>}	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	109.5690	0.000	1	109.5690	0.000	1	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|N<2>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	109.9695	2.156	2	110.3384	1.731	5	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,3|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,3|H<1>}	110.8840	0.000	1	110.3384	1.731	5	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	109.5160	0.000	1	110.3384	1.731	5	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{1|C<4>,4|H<1>}	111.3530	0.000	1	110.3384	1.731	5	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:H-1:	N[6](C[6]C[6]HH)2	C[6](C[6]O[6]HH)(N[6]C[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6])(H)2	N[6](C[6]C[6]HH)2{1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6])(H)2{1|C<4>,2|H<1>}	111.7085	1.896	2	111.7085	3.594	2	110.5847	2.054	8	110.5847	2.054	8	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:1:1:	4:2:3:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:C-3:H-1:	N[6](C[6]C[6]CH)(C[6]C[6]HH)	C[6](C[6]C[6]HO)(N[6]C[6])(H)2	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6])(COO)(H){1|C<4>,1|O<2>,3|H<1>}	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:2:4:1:	4:2:3:1:	C[6]-4:C[6]-4:	C[6]-4:N[6]-2:C-4:H-1:	C[5,6]-4:N[6]-2:C-3:H-1:	N[6](C[6]C[5,6]CH)(C[6]C[6]CH)	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H)	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H)	N[6](C[6]C[5,6]CH)(C[6]C[6]CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(CHHS)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[6]C[6])(CCH)(H){1|O<2>,2|H<1>,3|C<4>}	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	113.8770	0.000	1	111.1329	2.518	15	111.7446	8.338	16
914	466	466	6:SP2_SP3_SP3	N[6]	C[6]	C[6]	4:4:	4:3:2:1:	3:4:2:1:	C[6]-4:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)2{1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	111.1329	2.518	15	111.7446	8.338	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:	4:2:2:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a])(O[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(N[6]C[6,6]){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	119.9883	8.015	3	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(N[6]C[6,6a])(C[6]C[6]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,4|C<4>}	120.2420	0.000	1	120.2420	0.000	1	118.6405	5.130	2	118.6405	5.130	2	119.9883	8.015	3	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6a]	3:4:	4:2:4:1:	3:3:2:	C[6,6a]-3:C[6,6]-4:	C[6,6]-4:N[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	117.0390	0.000	1	117.0390	0.000	1	118.6405	5.130	2	118.6405	5.130	2	119.9883	8.015	3	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	2:2:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-2:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6](N[6]C[6,6a])(N[6]S[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|H<1>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]S[6])(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|O<1>,3|H<1>}	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	2:2:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-2:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	121.6590	0.000	3	121.6590	0.000	3	121.6590	0.000	3	121.6590	0.000	3	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	2:3:1:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-2:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH){1|S<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]S[6]H)(H)2{2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	2:4:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-2:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|C<4>,2|N<3>,3|H<1>}	117.7380	0.000	1	117.7380	0.000	1	117.7380	0.000	1	117.7380	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:3:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H){1|C<4>,6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:3:4:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,6|C<3>}	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	119.1320	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.9140	0.000	1	120.9140	0.000	1	120.1907	0.754	3	120.1907	0.754	3	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,5|H<1>}	119.2280	0.000	1	119.2280	0.000	1	120.1907	0.754	3	120.1907	0.754	3	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:4:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.1907	0.754	3	120.1907	0.754	3	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	3:2:4:4:	3:3:2:	C[6,6a]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	643	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6a]	3:4:	4:3:2:1:	3:3:2:	C[6,6a]-3:C[6]-4:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.4690	0.000	1	120.5103	1.949	13	120.4124	2.672	16
914	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:	2:3:4:4:	3:3:2:	C[5a,6]-3:C[6]-4:	N[6]-2:N[6]-3:C-4:C-4:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC)	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]CC){1|H<1>,1|N<2>,3|C<3>}	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C[6a])(N[6]C[6]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	115.7430	1.628	7	115.7430	1.628	7
914	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:	2:4:1:1:	3:2:2:	C[5a,6]-3:C[6]-4:	N[6]-2:C[6]-4:H-1:H-1:	N[5a,6]-3:S[5a]-2:N[6]-2:	N[6](C[5a,6]N[5a,6]S[5a])(C[6]C[6]HH)	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6])	N[6](C[5a,6]N[5a,6]S[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[5a,6])(C[6]C[6]HH)(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(S[5a]C[5a])(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	116.8670	0.092	2	116.8670	0.008	2	116.8670	0.008	2	116.8670	0.008	2	115.7430	1.628	7	115.7430	1.628	7
914	466	727	6:SP2_SP2_SP3	N[6]	C[6]	C[5a,6]	3:4:	4:2:4:1:	3:3:2:	C[5a,6]-3:C[6]-4:	C[5,6]-4:N[6]-2:C-4:H-1:	N[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH)	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6])	N[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]CH){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5,6]C[5,6]S[5]H)(N[6]C[5a,6])(CCHO)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]N[5a]C)(N[6]C[6]){1|N<2>,2|C<4>,3|H<1>}	115.8500	0.091	4	115.8500	0.008	4	115.8500	0.008	4	115.8500	0.008	4	115.7430	1.628	7	115.7430	1.628	7
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	3:4:	3:4:2:4:	4:2:2:	C[6,6]-3:C[3x6]-4:	C[6,6]-3:C[6,6]-4:N[6,6]-2:C-4:	C[5,3x6]-4:N[6,6]-2:O-2:	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C)	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC)	N[6,6](C[6,6]C[5,3x6]O)(C[3x6]C[6,6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[3x6](C[6,6]N[5,6,6]O)(C[6,6]C[6,6]CH)(N[6,6]C[6,6])(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[3x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.2290	0.000	1	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:N[6,6]-2:O-1:	N[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6](C[3x6]N[6,6,6a]C[6,6]H)(N[6,6]C[3x6])(O)	N[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[3x6]N[6,6,6a]C[6,6]H)(N[6,6]C[3x6])(O){1|C<4>,2|C<3>,3|H<1>}	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	115.2600	0.000	1	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:1:	4:2:2:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[6,6]-3:N[6,6]-2:H-1:	C[5,3x6]-4:N[6,6]-2:O-2:	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H)	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC)	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6,6](C[5,3x6]C[5,6,6]N[5,6,6]C[5])(N[6,6]C[3x6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	110.5400	0.000	1	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:3:	4:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[3x6]-4:N[6,6]-2:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(N[6,6]C[3x6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:3:2:4:	4:2:2:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C-4:	C[3x6]-4:N[6,6]-2:O-2:	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3)	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC)	N[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]O){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	C[3x6](C[6,6]C[6,6]HH)(C[6,6]C[6,6]C)(N[6,6]C[6,6])(CH3){1|N<3>,1|O<2>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(N[6,6]C[3x6])(OC){1|C<3>,1|N<3>,4|C<4>}	110.9565	0.268	2	110.9565	0.072	2	110.9565	0.072	2	110.9565	0.072	2	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:1:	4:2:1:	C[3x6]-4:C[6,6]-3:	C[5,6,6]-4:C[5,6,6]-4:N[6,6]-2:Cl-1:	C[3x6]-4:N[6,6]-2:Cl-1:	N[6,6](C[3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]Cl)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl)	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl)	N[6,6](C[3x6]C[5,6,6]2Cl)(C[6,6]C[3x6]Cl){1|Cl<1>,2|H<1>,4|C<4>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(N[6,6]C[6,6])(Cl){1|Cl<1>,1|C<4>,4|C<3>,6|H<1>}	C[6,6](C[3x6]C[5,6,6]2Cl)(N[6,6]C[3x6])(Cl){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	109.9160	0.000	1	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:2:	4:2:2:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:N[6,6]-2:O-2:	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O){1|C<2>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	109.3370	0.000	1	109.7700	0.166	3	109.7700	0.166	3	109.7700	0.166	3	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:2:	4:2:2:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:O-2:	C[3x6]-4:N[6,6]-2:O-2:	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC)	N[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]O){1|C<3>,1|W<7>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HW)(N[6,6]C[6,6])(OC){1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6])(OC){1|O<2>,1|W<7>,2|C<4>,3|H<1>}	109.9865	0.226	2	109.7700	0.166	3	109.7700	0.166	3	109.7700	0.166	3	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:3:	4:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[4x6]-4:N[6,6]-2:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a]){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	112.6720	0.000	1	111.8657	0.846	3	111.8657	0.846	3	111.8657	0.846	3	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[6,6]	4:3:	4:4:2:3:	4:2:3:	C[3x6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[4x6]-4:N[6,6]-2:C[6a]-3:	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2)	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a]){2|C<4>,4|C<3>,5|H<1>}	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[4x6]C[3x6]2H)(N[6,6]C[3x6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	111.4625	0.846	2	111.8657	0.846	3	111.8657	0.846	3	111.8657	0.846	3	111.2352	2.452	13	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:	4:3:2:4:	4:2:2:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:N[6,6]-2:C[6]-4:	C[5,3x6]-4:N[6,6]-2:O-2:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH)	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(N[6,6]C[6,6])(C[6]C[6]HH){1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.7815	0.213	2	110.7815	0.045	2	110.7815	0.045	2	110.7815	0.045	2	110.6020	0.119	3	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6,6]	C[4x6]	C[6,6]	4:3:	4:3:4:2:	4:2:2:	C[4x6]-4:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:N[6,6]-2:	C[5,3x6]-4:N[6,6]-2:O-2:	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O)	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6])	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC)	N[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[4x6](C[3x6]C[6,6]C[6]H)(C[6,6]N[5,6,6]O)(C[6]C[6,6a]HH)(N[6,6]C[6,6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,3x6]N[5,6,6]C[6,6]C[5])(N[6,6]C[4x6])(OC){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	110.6020	0.119	3	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[3x6]	3:4:	4:4:2:3:	4:4:2:	C[3x6]-3:C[6,6]-4:	C[6]-4:C[6]-4:N[6]-2:C[6]-3:	C[3x6]-4:C[6,6]-4:N[6]-2:	N[6](C[3x6]C[3x6]C[6,6])(C[6,6]C[6]3)	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6])	N[6](C[3x6]C[3x6]C[6,6])(C[6,6]C[6]3){1|O<1>,1|O<2>,5|H<1>,6|C<4>}	C[6,6](C[6]C[6]CH)(C[6]C[6]HH)(N[6]C[3x6])(C[6]O[6]O){3|H<1>,4|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6,6]){1|C<3>,2|H<1>,4|C<4>}	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6,6]	3:4:	3:4:2:1:	4:3:2:	C[6,6]-3:C[6,6]-4:	N[6,6]-3:C[6]-4:N[6]-2:H-1:	C[6,6]-4:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H)	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H)	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6])	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[6]H){1|C<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](N[6,6]C[6,6]C[6a])(C[6]C[6]HH)(N[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(N[6,6]C[6,6]C[6])(N[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	117.2130	0.205	2	117.2130	0.042	2	117.2130	0.042	2	117.2130	0.042	2	117.2130	0.042	2	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:3:3:2:	3:2:2:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	N[5a]-3:N[6]-2:N[6]-2:	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6])	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6]){1|C<4>,7|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[6](N[5a]C[5a]2)(N[6]C[5,6])(N[6]C[6,6]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:3:3:2:	3:2:3:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:N[6]-2:N-3:	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC)	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N){2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6,6])(NCC){1|H<1>,5|C<3>}	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	119.7740	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:3:3:2:	4:3:2:	C[6,6]-4:C[6]-3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a]){1|N<2>,1|O<1>,8|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6,6]){10|C<3>,2|H<1>}	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	122.8130	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:4:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[5,6]-3:C[6,6]-4:N[6]-2:H-1:	C[3x6]-4:N[6]-2:H-1:	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H)	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H)	C[6](C[3x6]C[3x6]C[4x6]C)(N[6]C[6,6])(H)	N[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[3x6]H){1|N<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,3x6]N[5])(C[6,6]C[4x6]HH)(N[6]C[6])(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]C)(N[6]C[6,6])(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	3:4:4:2:	4:2:1:	C[6,6]-4:C[6]-3:	C[5a,6]-3:C[6]-4:C[6]-4:N[6]-2:	C[6]-4:N[6]-2:O-1:	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O)	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6])	C[6](C[6]N[5a,6]CC)(N[6]C[6,6])(O)	N[6](C[6,6]C[5a,6]C[6]2)(C[6]C[6]O){1|N<2>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]HH)2(N[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|N<2>,4|H<1>}	C[6](C[6]N[5a,6]CC)(N[6]C[6,6])(O){1|C<3>,1|N<2>,2|C<4>}	130.5480	0.000	1	130.5480	0.000	1	130.5480	0.000	1	130.5480	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:2:2:1:	4:2:1:	C[6,6]-4:C[6]-3:	C[6,6]-4:N[6]-2:O[6]-2:H-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H)	C[6](C[6]O[6]HH)(N[6]C[6,6])(O)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]O){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]H)(N[6]C[6])(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]O[6]HH)(N[6]C[6,6])(O){1|C<4>,1|H<1>,1|O<2>}	121.6740	0.226	2	121.6740	0.051	2	121.6740	0.051	2	121.6740	0.051	2	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](N[6]C[6,6])(O[6]C[6])(CCCH)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[6]C[6,6])(O[6]C[6])(CCCH){2|C<4>,3|H<1>}	117.8130	0.000	1	117.8130	0.000	1	117.7573	0.936	3	117.7573	0.936	3	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H)	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[5]O[6]H)(N[6]C[6])(H){1|C<4>,1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6])(O[6]C[6])(CH3){1|C<3>,2|C<4>,2|H<1>}	116.7630	0.000	1	116.7630	0.000	1	117.7573	0.936	3	117.7573	0.936	3	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	2:2:4:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C)	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H)	C[6](N[6]C[6,6])(O[6]C[6])(CH3)	N[6](C[6,6]C[6,6]C[6]H)(C[6]O[6]C){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]O[6]CH)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](N[6]C[6,6])(O[6]C[6])(CH3){2|H<1>,3|C<4>}	118.6960	0.000	1	118.6960	0.000	1	117.7573	0.936	3	117.7573	0.936	3	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:1:	3:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:H-1:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,3|H<1>,4|C<3>}	116.0665	0.435	6	116.0665	0.189	6	116.0665	0.189	6	116.0665	0.189	6	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	4:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.9560	0.000	1	119.9560	0.000	1	119.6070	0.139	3	119.6070	0.139	3	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:2:2:	4:3:2:	C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-4:N[6]-2:O-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6])	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(N[6]C[6])(OH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	119.4325	0.309	2	119.4325	0.095	2	119.6070	0.139	3	119.6070	0.139	3	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	3:2:3:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:N-3:	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6]C[6]HH)2(N[6]C[6]2)(N[6]C[6]){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6,6]	C[6]	4:3:	4:4:3:2:	4:2:2:	C[6,6]-4:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:N[6]-2:	C[6]-4:N[6]-2:O-2:	N[6](C[6,6]C[6]3)(C[6]C[6]O)	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6])	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC)	N[6](C[6,6]C[6]3)(C[6]C[6]O){1|C<3>,1|N<2>,1|O<2>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]N[6]CH)(N[6]C[6,6])(OC){1|C<3>,2|C<4>}	118.8295	0.472	2	118.8295	0.222	2	118.8295	0.222	2	118.8295	0.222	2	118.9542	11.130	23	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[3x6]	3:4:	2:3:4:1:	4:4:2:	C[3x6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	117.2775	1.998	2	117.2775	3.990	2	117.3097	1.998	3	117.3097	1.998	3	117.3097	1.998	3	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[3x6]	3:4:	2:3:4:1:	4:4:2:	C[3x6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[3x6]-4:C[6,6]-4:N[6]-2:	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H)	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6])	N[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[3x6])(C[6]O[6]O)(CCCO)(H){2|C<4>}	C[3x6](C[3x6]C[4,6,6]O[6]C)(C[6,6]C[4,6,6]HH)(N[6]C[6]){1|C<3>,3|C<4>,3|H<1>}	117.3740	0.000	1	117.3740	0.000	1	117.3097	1.998	3	117.3097	1.998	3	117.3097	1.998	3	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:1:1:	3:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:N[6]-3:H-1:H-1:	N[6,6]-3:C[6]-4:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH)	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH){3|C<4>,3|N<3>}	C[6](N[6]C[6,6])(N[6]C[6]N)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6]){2|N<3>,8|H<1>}	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:1:1:	4:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:C[6]-3:H-1:H-1:	C[6,6]-4:C[6]-4:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(H)2{1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	119.5010	0.000	1	119.5010	0.000	1	119.5010	0.000	1	119.5010	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:4:1:	4:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,6,6]-4:C[6,6]-4:N[6]-2:	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6])	N[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[6,6](C[5,6,6]C[5,5,6]C[6,6]C[5])(C[6,6]C[6]O[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	4:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	119.3393	0.337	3	119.3393	0.114	3	119.4204	0.156	7	119.4204	0.156	7	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	4:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[5a]HH)(CH3){2|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	119.0950	0.123	2	119.0950	0.015	2	119.4204	0.156	7	119.4204	0.156	7	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	2:3:4:4:	4:4:2:	C[6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[6,6]-4:C[6]-4:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[3,6]HH)(N[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	119.8675	0.250	2	119.8675	0.062	2	119.4204	0.156	7	119.4204	0.156	7	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	3:2:1:1:	4:3:2:	C[6,6]-3:C[6]-4:	N[6,6]-3:N[6]-2:H-1:H-1:	C[3x6]-4:C[6]-3:N[6]-2:	N[6](C[6,6]C[3x6]C[6])(C[6]N[6,6]HH)	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]C[3x6]C[6])(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,7|H<1>}	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	3:3:2:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	115.8390	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:2:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:S[6]-2:N[6]-2:	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	119.0475	0.822	2	119.0475	0.676	2	119.0475	0.676	2	119.0475	0.676	2	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	119.7340	0.000	1	119.1245	0.743	2	119.1245	0.743	2	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]){2|C<4>,3|C<3>,5|H<1>}	118.5150	0.000	1	119.1245	0.743	2	119.1245	0.743	2	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	118.5600	0.000	1	118.5600	0.000	1	118.4925	0.009	2	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	118.4250	0.000	1	118.4250	0.000	1	118.4925	0.009	2	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|H<1>,5|C<4>}	C[6](C[6]C[6]CC)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	119.7110	0.000	1	119.7110	0.000	1	122.1197	3.212	8	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Cu<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]){2|C<4>,8|H<1>}	123.1390	0.669	2	123.1390	0.447	2	122.1197	3.212	8	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	122.6250	0.000	1	122.6250	0.000	1	122.1197	3.212	8	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]){2|C<4>,8|H<1>}	123.0780	1.021	3	123.0780	1.043	3	122.1197	3.212	8	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Si<4>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	119.1100	0.000	1	119.1100	0.000	1	122.1197	3.212	8	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(H)2{2|H<1>,2|N<3>}	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6]){1|C<3>,1|N<2>,2|C<4>,8|H<1>}	117.8730	1.186	5	117.8730	1.406	5	117.8730	1.406	5	120.0916	5.835	17	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:1:1:	4:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:N[6]-2:	N[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6])	N[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[5,6]HH)(N[6]C[6,6])(H)2{1|C<3>,2|C<4>}	C[6,6](C[5,6,6]C[6,6a]N[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:4:2:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:O-2:	C[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6,6])(CCHN)(OH){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:4:3:	3:3:2:	C[6,6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:C-3:	N[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6,6])(CH3)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	126.2460	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6,6]	3:4:	4:2:4:4:	3:4:2:	C[6,6]-3:C[6]-4:	Si[6]-4:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6,6]-4:N[6]-2:	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC)	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6])	N[6](C[6,6]C[6,6a]C[6,6])(C[6]Si[6]CC){3|C<3>,4|C<4>}	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]){1|Si<4>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	124.8600	0.000	1	119.9417	5.630	35	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	2:2:3:1:	3:3:2:	C[6]-3:C[6]-4:	O[6]-2:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]O[6]CH){4|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CCO)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,4|H<1>,5|C<3>}	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	116.5230	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	2:2:4:1:	3:2:1:	C[6]-3:C[6]-4:	O[6]-2:N[6]-2:C-4:H-1:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]O[6]CH)	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]O[6]CH){2|C<3>}	C[6](O[6]C[6,6a])(N[6]C[6])(CH3)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	2:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	N[6]-2:N[6]-2:C-4:C-4:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC){2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	125.9060	0.000	3	125.9060	0.000	3	125.9060	0.000	3	125.9060	0.000	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:1:1:	4:2:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]O)(N[6]C[6])(H)2{1|O<2>,2|C<4>}	C[6](C[5,6]N[5,6]C[5]H)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.9920	0.000	1	115.9920	0.000	1	115.9920	0.000	1	115.9920	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:1:	4:2:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:C-4:H-1:	C[5,6]-4:N[6]-2:O-2:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[5,6]C[5]2N[6])(N[6]C[6])(OC){1|C<4>,3|C<3>,5|H<1>}	118.3100	0.464	2	118.3100	0.215	2	118.2363	0.124	3	118.4378	0.141	5	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:1:	4:2:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:C-4:H-1:	C[5,6]-4:N[6]-2:O-2:	N[6](C[6]C[5,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC)	N[6](C[6]C[5,6]O)(C[6]C[6]CH){1|C<4>,1|N<2>,2|O<2>}	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[5,6]C[5]N[6]O[5])(N[6]C[6])(OC){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.0890	0.000	1	118.0890	0.000	1	118.2363	0.124	3	118.4378	0.141	5	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:1:	4:2:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:C-4:H-1:	C[6,6]-4:N[6]-2:O-2:	N[6](C[6]C[6,6]O)(C[6]C[6]CH)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC)	N[6](C[6]C[6,6]O)(C[6]C[6]CH){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6,6]C[6]2N[6])(N[6]C[6])(OC){2|C<3>,2|C<4>,5|H<1>}	118.7400	0.100	2	118.7400	0.010	2	118.7400	0.010	2	118.4378	0.141	5	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:3:	3:3:2:	C[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]N[6]CC)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]N[6]CC){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:3:	4:3:2:	C[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-3:	C[3,6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC)	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO)	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[3,6]C[6a])(C[6]N[6]CC){1|H<1>,2|C<4>,3|C<3>}	C[6](N[6]C[3,6]C[6a])(N[6]C[6])(CF3)(COO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[3,6]C[3,6]C[3]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	120.6200	0.809	2	120.6200	0.654	2	120.6200	0.654	2	120.6200	0.654	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:1:	C[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](C[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	125.8660	0.000	3	125.8660	0.000	3	125.8660	0.000	3	125.8660	0.000	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:3:	C[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:N[6]-2:C-3:	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO){1|C<3>,2|C<4>,2|N<3>}	116.0890	0.000	1	116.0890	0.000	1	116.0890	0.000	1	118.8357	5.764	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:2:3:	C[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	N[5a,6]-3:N[6]-2:N-3:	N[6](C[6]N[5a,6]N)(C[6]N[6]CC)	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	N[6](C[6]N[5a,6]N)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	120.2090	0.460	2	120.2090	0.211	2	120.2090	0.211	2	118.8357	5.764	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:C-4:C-4:	C[5a,6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC)	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(N[6]C[6])(CH3)2{3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,5|C<3>}	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	117.3120	18.486	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:2:4:4:	3:3:2:	C[6]-3:C[6]-4:	C[6]-3:N[6]-2:C-4:C-4:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]CC){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6])(CH3)2{1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	114.8300	0.103	2	114.8300	0.011	2	114.8300	0.011	2	117.3120	18.486	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:3:2:1:	3:3:2:	C[6]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	114.4880	0.000	1	116.1767	2.998	3	116.1767	2.998	3	116.1767	2.998	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:3:2:1:	3:3:2:	C[6]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	117.9480	0.000	1	116.1767	2.998	3	116.1767	2.998	3	116.1767	2.998	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:3:2:1:	3:3:2:	C[6]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	116.0940	0.000	1	116.1767	2.998	3	116.1767	2.998	3	116.1767	2.998	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	3:4:2:4:	3:4:2:	C[6]-3:C[6]-4:	C[6]-3:C-4:N[6]-2:C-4:	C[6a]-3:C[6]-4:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]CC)	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]O[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<3>,1|C<4>}	C[6](C[6a]C[6a]2)(C[6]O[6]CC)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	121.0590	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[5,6]HH)	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	N[6](C[6]C[6a]O[6])(C[6]C[5,6]HH){1|Cl<1>,1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]Cl)(N[6]C[6])(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	118.4670	1.242	2	118.4670	1.542	2	118.4670	1.542	2	118.4785	1.955	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-2:S-2:	N[6](C[6]C[6,6a]S)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a])	N[6](C[6]C[6,6a]S)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(SC[6a]){1|C<4>,2|C<3>,3|H<1>}	115.5250	0.000	1	115.5250	0.000	1	115.5250	0.000	1	118.4785	1.955	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<3>,2|C<4>,5|H<1>}	120.1490	0.000	1	119.4405	1.004	2	119.4405	1.004	2	118.4785	1.955	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,3|C<3>,5|H<1>}	118.7320	0.000	1	119.4405	1.004	2	119.4405	1.004	2	118.4785	1.955	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(N[6]C[6])(H)2{1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[5,6])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	118.8293	0.310	3	118.8293	0.096	3	118.8293	0.096	3	118.4785	1.955	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:3:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:N[6]-2:C-3:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	117.0290	0.665	2	117.0290	0.442	2	117.0290	0.442	2	117.0290	0.442	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:4:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:N[6]-2:C-4:	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	120.1580	17.713	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:2:4:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-2:C-4:	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	120.1580	17.713	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	117.1740	0.000	1	117.1740	0.000	1	116.4925	0.929	2	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a,6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	115.8110	0.000	1	115.8110	0.000	1	116.4925	0.929	2	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6])	N[6](C[6]C[5a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	115.4735	0.012	2	115.4735	0.000	2	115.4735	0.000	2	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	115.8390	0.000	1	117.1630	1.748	3	117.1630	1.748	3	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(H)2{3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	117.8250	0.931	2	117.1630	1.748	3	117.1630	1.748	3	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]N[6]HH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]HH){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[6]HH)(N[6]C[6])(H)2{2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	114.3845	0.357	2	114.3845	0.128	2	115.9686	2.251	5	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]O[6]CH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]O[6]CH)(N[6]C[6])(H)2{2|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]){1|C<4>,2|C<3>,4|H<1>}	117.0247	0.506	3	117.0247	0.256	3	115.9686	2.251	5	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,6|H<1>}	121.5990	0.000	1	121.5990	0.000	1	118.0307	9.635	3	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	116.2465	0.412	2	116.2465	0.170	2	118.0307	9.635	3	116.6237	3.167	15	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:N[6]-2:O-1:	N[6](C[6]C[5,6]O)(C[6]C[6]HH)	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O)	N[6](C[6]C[5,6]O)(C[6]C[6]HH){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]HO)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O){1|O<2>,2|C<4>,3|H<1>}	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	125.4785	0.276	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:2:1:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6]-4:N[6]-2:O-1:	N[6](C[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6,6]C[6]3)(N[6]C[6])(O)	N[6](C[6]C[6,6]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6]3)(N[6]C[6])(O){1|C<3>,3|C<4>,7|H<1>}	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	125.4785	0.276	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[5,6]C[6a])(C[6]C[6]HH)	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[5,6]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[5,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[6a]N[5])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	118.7660	0.000	1	118.7660	0.000	1	118.7660	0.000	1	118.6590	0.023	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:1:1:	4:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[6,6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6]C[6a])(C[6]C[6]HH){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]N[6,6]HH)(N[6]C[6])(H)2{1|C<3>,2|C<4>}	C[6](C[6,6]N[6,6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){3|C<4>,4|C<3>,5|H<1>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	118.6590	0.023	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:O-2:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]HO)	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CO)(N[6]C[6])(OC)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:1:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:H-1:	N[5a,6]-3:N[6]-2:O-1:	N[6](C[6]N[5a,6]O)(C[6]C[6]CH)	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H)	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O)	N[6](C[6]N[5a,6]O)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]HH)(N[6]C[6])(COO)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	123.4750	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:2:3:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:H-1:	C[6,6a]-3:N[6]-2:N-3:	N[6](C[6]C[6,6a]N)(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6,6a]N)(C[6]C[6]CH){2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:3:1:	3:4:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:H-1:	C[6,6a]-3:C[6]-4:N[6]-2:	N[6](C[6]C[6,6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6])	N[6](C[6]C[6,6a]C[6])(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6a]HH)(N[6]C[6])(COO)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]){3|C<3>,3|C<4>,6|H<1>}	115.9205	0.323	2	115.9205	0.104	2	115.9205	0.104	2	115.9205	0.104	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:H-1:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[6a]O[6])(C[6]C[6]CH)	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]C[6a]O[6])(C[6]C[6]CH){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ClH)(N[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){2|C<4>,3|C<3>,4|H<1>}	119.9380	1.167	2	119.9380	1.361	2	119.9380	1.361	2	119.9380	1.361	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:4:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:H-1:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6a]C[6])(C[6]C[6]CH){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(CH3)(H){4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,4|C<3>}	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	116.7810	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:O-2:	C[6a]-3:N[6]-2:S[6]-2:	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CCHH)(OH){1|C<3>,1|S<2>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	122.9100	0.000	1	122.9100	0.000	1	122.1520	1.149	2	122.6005	0.786	4	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:O-2:	C[6a]-3:N[6]-2:S[6]-2:	N[6](C[6]C[6a]S[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6])	N[6](C[6]C[6a]S[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(S[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	121.3940	0.000	1	121.3940	0.000	1	122.1520	1.149	2	122.6005	0.786	4	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:2:4:2:	3:2:2:	C[6]-3:C[6]-4:	C[6]-4:N[6]-2:C-4:O-2:	C[6a]-3:Se[6]-2:N[6]-2:	N[6](C[6]C[6a]Se[6])(C[6]C[6]CO)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH)	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6])	N[6](C[6]C[6a]Se[6])(C[6]C[6]CO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)(OH){1|Se<2>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(Se[6]C[6])(N[6]C[6]){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	123.0490	0.636	2	123.0490	0.405	2	123.0490	0.405	2	122.6005	0.786	4	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	3:4:	4:3:2:1:	3:3:2:	C[6]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	116.9250	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	2:2:1:1:	2:2:1:	C[6]-4:C[6]-3:	N[6]-2:N[6]-2:F-1:F-1:	N[6]-2:N[6]-2:F-1:	N[6](C[6]N[6]FF)(C[6]N[6]F)	C[6](N[6]C[6])2(F)2	C[6](N[6]C[6])2(F)	N[6](C[6]N[6]FF)(C[6]N[6]F){1|C<3>}	C[6](N[6]C[6])2(F)2{1|N<2>,2|F<1>}	C[6](N[6]C[6])2(F){1|N<2>,3|F<1>}	113.4420	0.010	2	113.4420	0.000	2	113.4420	0.000	2	113.4420	0.000	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	2:2:4:1:	2:2:1:	C[6]-4:C[6]-3:	N[6]-2:N[6]-2:C-4:H-1:	N[6]-2:N[6]-2:H-1:	N[6](C[6]N[6]CH)(C[6]N[6]H)	C[6](N[6]C[6])2(CSi2H)(H)	C[6](N[6]C[6])2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H){1|C<3>}	C[6](N[6]C[6])2(CSi2H)(H){1|N<2>,2|H<1>}	C[6](N[6]C[6])2(H){1|C<4>,1|N<2>,2|H<1>}	114.1155	0.016	2	114.1155	0.000	2	114.1155	0.000	2	114.1155	0.000	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	2:2:4:1:	3:2:1:	C[6]-4:C[6]-3:	N[6]-2:N[6]-2:C-4:H-1:	N[6]-3:N[6]-2:H-1:	N[6](C[6]N[6]CH)(C[6]N[6]H)	C[6](N[6]C[6])2(CSi2H)(H)	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[6]CH)(C[6]N[6]H){1|C<3>,1|H<1>}	C[6](N[6]C[6])2(CSi2H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	113.1925	0.049	2	113.1925	0.002	2	113.1925	0.002	2	113.1925	0.002	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	2:2:4:4:	2:2:1:	C[6]-4:C[6]-3:	N[6]-2:N[6]-2:C-4:C-4:	N[6]-2:N[6]-2:F-1:	N[6](C[6]N[6]CC)(C[6]N[6]F)	C[6](N[6]C[6])2(CF3)2	C[6](N[6]C[6])2(F)	N[6](C[6]N[6]CC)(C[6]N[6]F){1|C<3>}	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	C[6](N[6]C[6])2(F){1|N<2>,3|C<4>}	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	113.1680	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	2:2:4:4:	2:2:4:	C[6]-4:C[6]-3:	N[6]-2:N[6]-2:C-4:C-4:	N[6]-2:N[6]-2:C-4:	N[6](C[6]N[6]CC)(C[6]N[6]C)	C[6](N[6]C[6])2(CF3)2	C[6](N[6]C[6])2(CF3)	N[6](C[6]N[6]CC)(C[6]N[6]C){1|C<3>}	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	C[6](N[6]C[6])2(CF3){1|F<1>,1|N<2>,2|C<4>}	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6a]-3:O[6]-2:N[6]-2:	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6])	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	121.6210	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	115.6260	0.000	1	115.6260	0.000	1	118.6030	5.648	6	118.6030	5.648	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CN3)	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(CN3){1|N<3>,4|H<1>}	117.8600	0.154	2	117.8600	0.024	2	118.6030	5.648	6	118.6030	5.648	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	117.3160	0.000	1	117.3160	0.000	1	118.6030	5.648	6	118.6030	5.648	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,2|N<3>}	C[6](N[6]C[6]N)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	121.4780	0.250	2	121.4780	0.063	2	118.6030	5.648	6	118.6030	5.648	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:H-1:	N[6](C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H)	N[6](C[6]C[6,6a]HH)(C[6]C[6]H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(N[6]C[6])(H){2|C<3>,2|H<1>}	118.1620	0.000	1	118.1620	0.000	1	118.1620	0.000	1	123.5230	21.593	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(H)2	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(N[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(O){3|C<3>,3|H<1>}	126.2035	0.275	2	126.2035	0.076	2	126.2035	0.076	2	123.5230	21.593	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:N[6]-2:O-2:H-1:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6]){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	118.6520	0.000	1	118.6520	0.000	1	118.6520	0.000	1	115.5470	19.282	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	115.5470	19.282	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:2:4:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	116.0810	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]C[5]N[6]C)(N[6]C[6])(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.8940	0.546	2	117.8940	0.298	2	117.9920	0.094	7	118.3591	1.159	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6])(CCCH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	118.1953	0.103	3	118.1953	0.011	3	117.9920	0.094	7	118.3591	1.159	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6])(CC[3]HO)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.6890	0.000	1	117.6890	0.000	1	117.9920	0.094	7	118.3591	1.159	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(N[6]C[6])(CC[6]HH)(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.8810	0.000	1	117.8810	0.000	1	117.9920	0.094	7	118.3591	1.159	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:1:	4:2:2:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]N[6]CH)(C[6]C[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H)	C[6](C[6]C[6]HH)(N[6]C[6])(OC)	N[6](C[6]N[6]CH)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CC3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	118.3591	1.159	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:3:	3:2:1:	C[6]-4:C[6]-3:	N[6]-3:N[6]-2:C-4:C-3:	C[6]-3:N[6]-2:H-1:	N[6](C[6]N[6]CC)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO)	C[6](C[6]C[6a]C[6])(N[6]C[6])(H)	N[6](C[6]N[6]CC)(C[6]C[6]H){3|C<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6])(CF3)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:2:4:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(N[6]C[6])(CC[6]CH)(CH3){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	119.3480	0.228	2	119.3480	0.052	2	119.3480	0.052	2	119.3480	0.052	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	2:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	N[6]-2:N[6]-2:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](N[6]C[6])2(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6])2(S){2|C<3>,2|H<1>}	128.5690	0.000	1	128.5690	0.000	1	128.5690	0.000	1	128.5690	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	2:2:3:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	N[6]-2:N[6]-2:N-3:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6])2(NC[6a]H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|H<1>,2|N<3>}	114.8118	0.882	6	114.8118	0.777	6	114.8118	0.777	6	114.8118	0.777	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	124.6130	0.000	1	124.6130	0.000	1	124.6130	0.000	1	124.6130	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	117.3330	2.977	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	118.5530	0.000	1	118.5530	0.000	1	118.5530	0.000	1	117.3330	2.977	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:2:3:	C[6]-4:C[6]-3:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-3:N[6]-2:C-3:	N[6](C[6]N[5a,6]C[6a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO)	N[6](C[6]N[5a,6]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[6](C[6]C[5a,6]H)(N[6]C[6])(COO){1|H<1>,1|N<3>,2|C<3>}	115.8875	0.221	2	115.8875	0.049	2	115.8875	0.049	2	115.8875	0.049	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:3:2:	C[6]-4:C[6]-3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	114.3880	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	3:4:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-4:N[6]-2:	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|N<3>,4|C<3>,4|H<1>}	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	121.0500	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(N[6]C[6])(OC){1|H<1>,4|C<3>}	118.2537	0.501	3	118.2537	0.251	3	118.2537	0.251	3	118.2537	0.251	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	115.4930	0.000	1	115.4930	0.000	1	115.1970	0.175	2	115.1970	0.175	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,5|C<3>}	114.9010	0.000	1	114.9010	0.000	1	115.1970	0.175	2	115.1970	0.175	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:3:	3:4:2:	C[6]-4:C[6]-3:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-4:N[6]-2:	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:3:2:4:	3:2:1:	C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:Cl-1:	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:S-1:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,2|C<3>,2|H<1>}	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	124.1440	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.7985	0.650	2	118.7985	0.422	2	118.7985	0.422	2	116.7297	2.812	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.1000	0.000	1	115.1000	0.000	1	115.6953	0.266	4	116.7297	2.812	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:S-2:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	115.8937	0.404	3	115.8937	0.163	3	115.6953	0.266	4	116.7297	2.812	6	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[6]-3:N[6]-2:C-3:	N[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6](N[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	119.6685	0.091	2	119.6685	0.008	2	119.6685	0.008	2	119.6685	0.008	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,5|C<3>}	116.3440	0.000	1	116.3440	0.000	1	116.3440	0.000	1	116.6185	0.151	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	116.8930	0.000	1	116.8930	0.000	1	116.8930	0.000	1	116.6185	0.151	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:N[6]-2:S-2:	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]S){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6](C[6]C[6,6a]C[6]H)(N[6]C[6])(SC){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	114.1260	0.000	1	114.1260	0.000	1	114.1260	0.000	1	117.4749	1.630	10	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(H){1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|H<1>,2|C<4>}	118.8540	0.000	1	118.8540	0.000	1	117.8470	0.276	9	117.4749	1.630	10	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.1280	0.000	1	117.1280	0.000	1	117.8470	0.276	9	117.4749	1.630	10	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.8542	0.336	6	117.8542	0.113	6	117.8470	0.276	9	117.4749	1.630	10	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]N[6]O)(CC[6a]HO)(N[6]C[6])(H){1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	117.5160	0.000	1	117.5160	0.000	1	117.8470	0.276	9	117.4749	1.630	10	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	118.6440	0.000	2	118.6440	0.000	2	117.4287	4.431	3	117.4287	4.431	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	114.9980	0.000	1	114.9980	0.000	1	117.4287	4.431	3	117.4287	4.431	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	2:2:3:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	N[6]-2:S[6]-2:N-3:	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C[6](N[6]C[6])(S[6]C[6])(NHH)	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6])(S[6]C[6])(NHH){1|C<3>,1|H<1>,3|C<4>}	121.8830	3.123	2	121.8830	9.751	2	121.8830	9.751	2	121.8830	9.751	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	2:2:4:	C[6]-4:C[6]-3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	N[6]-2:O[6]-2:C-4:	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6](N[6]C[6])(O[6]C[6])(CCl3)	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<3>,2|C<4>,2|H<1>}	118.7915	0.093	2	118.7915	0.009	2	118.7915	0.009	2	118.7915	0.009	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6]O)(CC[5a]HH)(N[6]C[6])(CH3){1|O<2>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,3|C<4>}	120.5640	0.000	1	120.5640	0.000	1	119.0991	0.720	7	118.8595	1.077	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3)	C[6](C[6]N[6]CC)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]N[6]O)(CC[6a]HH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]N[6]CC)(N[6]C[6])(OC){1|C<3>,2|C<4>}	118.6670	0.225	2	118.6670	0.051	2	119.0991	0.720	7	118.8595	1.077	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(CC[6a]CH)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	119.5005	0.206	2	119.5005	0.042	2	119.0991	0.720	7	118.8595	1.077	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(CC[6a]HO)(N[6]C[6])(CH3){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	118.3975	0.633	2	118.3975	0.401	2	119.0991	0.720	7	118.8595	1.077	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	3:4:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-3:C-4:N[6]-2:O-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]CO)(C[6]C[6]O)	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]CO)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]O[6]O)(CC[6a]HN)(N[6]C[6])(OH3){1|C<4>,1|O<2>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,1|C<4>,1|O<4>}	117.1820	0.000	1	117.1820	0.000	1	117.1820	0.000	1	118.8595	1.077	8	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:2:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:S[6]-2:S-2:	N[6](C[6]C[6]HH)(C[6]S[6]S)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6])(S[6]C[6])(SC)	N[6](C[6]C[6]HH)(C[6]S[6]S){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|S<2>}	C[6](N[6]C[6])(S[6]C[6])(SC){1|C<4>,4|H<1>}	120.7050	1.109	2	120.7050	1.229	2	120.7050	1.229	2	120.7050	1.229	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	S[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|N<3>,1|S<2>,2|C<4>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	122.3692	0.096	4	122.3692	0.009	4	122.1948	0.159	5	122.1948	0.159	5	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:3:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	S[6]-2:N[6]-2:N-3:	N[6](C[6]C[6]HH)(C[6]S[6]N)	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S)	N[6](C[6]C[6]HH)(C[6]S[6]N){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,1|S<2>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S){1|C<3>,2|C<4>,2|H<1>}	121.4970	0.000	1	121.4970	0.000	1	122.1948	0.159	5	122.1948	0.159	5	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6])(O[6]C[6])(CCCN)	N[6](C[6]C[6]HH)(C[6]O[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>}	C[6](N[6]C[6])(O[6]C[6])(CCCN){1|C<4>,4|H<1>}	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	119.1090	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:2:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N-2:	N[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:3:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NCH)	N[6](C[6]C[6]HH)(C[6]N[6]N){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{2|H<1>,2|N<3>}	C[6](N[6]C[6]C)(N[6]C[6])(NCH){1|C<4>,4|H<1>}	116.3110	0.025	2	116.3110	0.001	2	116.3110	0.001	2	116.3110	0.001	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	121.0620	0.000	1	121.0620	0.000	1	119.4950	4.462	9	119.4950	4.462	9	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CCHH){1|C<4>,4|H<1>}	119.6028	1.866	5	119.6028	3.484	5	119.4950	4.462	9	119.4950	4.462	9	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	115.7400	0.000	1	115.7400	0.000	1	119.4950	4.462	9	119.4950	4.462	9	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	3:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](N[6]C[6]N)(N[6]C[6])(CN3)	N[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6]N)(N[6]C[6])(CN3){1|C<4>,4|H<1>}	120.3195	1.945	2	120.3195	3.784	2	119.4950	4.462	9	119.4950	4.462	9	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:N[6]-2:H-1:H-1:	C[3x6]-4:N[6]-2:H-1:	N[6](C[6]C[6,6]HH)(C[6]C[3x6]H)	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6])(H)	N[6](C[6]C[6,6]HH)(C[6]C[3x6]H){5|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(N[6]C[6])(H)2{3|C<4>,4|H<1>}	C[6](C[3x6]C[3x6]2C[6])(N[6]C[6])(H){5|C<4>,6|H<1>}	119.6040	0.000	1	119.6040	0.000	1	119.6040	0.000	1	124.8323	20.541	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]HH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(O)	N[6](C[6]C[6]HH)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(O){1|C<4>,4|H<1>}	127.4465	0.279	2	127.4465	0.078	2	127.4465	0.078	2	124.8323	20.541	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:2:	C[6]-4:C[6]-3:	C[5,6]-4:N[6]-2:H-1:H-1:	C[6]-4:O[6]-2:N[6]-2:	N[6](C[6]C[5,6]HH)(C[6]C[6]O[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6])	N[6](C[6]C[5,6]HH)(C[6]C[6]O[6]){2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])(H)2{1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]2H)(O[6]C[5,6])(N[6]C[6]){4|C<4>,7|H<1>}	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:1:1:	4:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:H-1:H-1:	C[6]-4:N[6]-2:C-4:	N[6](C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]CH)(N[6]C[6])(H)2	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH)	N[6](C[6]C[6]HH)(C[6]C[6]C){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(N[6]C[6])(H)2{2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CC[5]CH){1|C<4>,4|H<1>}	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:2:2:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:O-2:H-1:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H)	C[6](C[6]C[6]HW)(N[6]C[6])(OC)	N[6](C[6]C[6]HO)(C[6]C[6]O){1|C<4>,1|O<2>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6])(OC)(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C[6](C[6]C[6]HW)(N[6]C[6])(OC){1|C<4>,1|O<2>,2|H<1>}	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	116.1160	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:2:1:	4:3:2:	C[6]-4:C[6]-3:	C[5,5,6]-4:N[6]-2:O-2:H-1:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[5,5,6]HO)(C[6]C[6a]C[6])	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H)	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6]C[5,5,6]HO)(C[6]C[6a]C[6]){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5]2)(N[6]C[6])(OC)(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	116.8850	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:3:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:C-3:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6]C[6]CH)(C[6]O[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H)	C[6](N[6]C[6])(O[6]C[6])(CCl3)	N[6](C[6]C[6]CH)(C[6]O[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6])(O[6]C[6])(CCl3){1|C<4>,2|C<3>,2|H<1>}	117.9550	0.000	1	117.9550	0.000	1	115.2120	15.048	2	115.2120	15.048	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:3:1:	2:2:4:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:C-3:H-1:	N[6]-2:O[6]-2:C-4:	N[6](C[6]C[6]CH)(C[6]O[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H)	C[6](N[6]C[6])(O[6]C[6])(CCHN)	N[6](C[6]C[6]CH)(C[6]O[6]C){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](N[6]C[6])(O[6]C[6])(CCHN){1|C<3>,2|C<4>,2|H<1>}	112.4690	0.000	1	112.4690	0.000	1	115.2120	15.048	2	115.2120	15.048	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:3:	C[6]-4:C[6]-3:	C[6,6]-4:N[6]-2:C-4:C-4:	C[6,6]-4:N[6]-2:C-3:	N[6](C[6]C[6,6]CC)(C[6]C[6,6]C)	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O)	N[6](C[6]C[6,6]CC)(C[6]C[6,6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CC[5a]O){1|C<3>,2|H<1>,4|C<4>}	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	121.5933	0.028	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:2:4:4:	4:2:3:	C[6]-4:C[6]-3:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:N[6]-2:C-3:	N[6](C[6]C[6]CC)(C[6]C[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2	C[6](C[6]C[6]HH)(N[6]C[6])(CHH)	N[6](C[6]C[6]CC)(C[6]C[6]C){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[6])(CHH){2|H<1>,3|C<4>}	121.4960	0.000	2	121.4960	0.000	2	121.4960	0.000	2	121.5933	0.028	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	N[6]-3:N[6]-2:O-1:	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H){3|C<3>,3|H<1>,3|N<3>,3|O<1>}	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	127.0720	0.000	1	127.0720	0.000	1	127.0720	0.000	1	121.8595	54.340	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[5a,6]-3:N[6]-2:H-1:	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	121.8595	54.340	2	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:2:2:	C[6]-4:C[6]-3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6a]-3:O[6]-2:N[6]-2:	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6])	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	118.5950	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	3:3:2:	C[6]-4:C[6]-3:	C[4]-4:C[6]-3:N[6]-2:H-1:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6])	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6]){1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6](C[4]C[4]S[4]H)(C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	112.9620	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:1:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6]-2:H-1:	C[6]-4:N[6]-2:O-1:	N[6](C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]2H)(N[6]C[6])(O)	N[6](C[6]C[6]2H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]2H)(N[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	118.3170	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:1:	4:2:3:	C[6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[5,6]-4:N[6]-2:C-3:	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO)	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C){1|C<4>,2|N<3>,4|C<3>}	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]N[3,5]N[5,6]C[6a])(N[6]C[6])(COO){2|H<1>,3|C<3>,3|C<4>}	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[5]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[5]C[6]C)(C[6]C[6]O)	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH)	C[6](C[6]N[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[5]C[6]C)(C[6]C[6]O){1|N<2>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5]C[5,6]O[5]H)(C[6]N[6]O)(N[6]C[6])(CCHH){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]N[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	118.8965	0.808	2	118.8965	0.653	2	118.8965	0.653	2	119.2540	0.710	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:3:2:4:	4:2:2:	C[6]-4:C[6]-3:	C[6]-4:C[6]-3:N[6]-2:C-4:	C[6]-4:N[6]-2:O-2:	N[6](C[6]C[6]2C)(C[6]C[6]O)	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3)	C[6](C[6]O[6]CH)(N[6]C[6])(OC)	N[6](C[6]C[6]2C)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]O[6]O)(N[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]O[6]CH)(N[6]C[6])(OC){1|C<3>,2|C<4>}	119.9690	0.000	1	119.9690	0.000	1	119.9690	0.000	1	119.2540	0.710	3	118.6774	10.824	202	118.4101	12.857	282
914	466	762	6:SP2_SP2_SP3	N[6]	C[6]	C[6]	4:3:	4:4:2:1:	2:2:2:	C[6]-4:C[6]-3:	C[3x6]-4:C[6]-4:N[6]-2:H-1:	N[6]-2:O[6]-2:O-2:	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H)	C[6](N[6]C[6])(O[6]C[6])(OC)	N[6](C[6]C[3x6]C[6]H)(C[6]O[6]O){2|H<1>,4|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,4|C<4>,7|H<1>}	C[6](N[6]C[6])(O[6]C[6])(OC){2|H<1>,3|C<4>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.6774	10.824	202	118.4101	12.857	282
914	466	818	6:SP2_SP2_SP3	N[6,6]	C[3x6]	C[5,6,6]	3:4:	3:3:2:1:	4:2:3:	C[5,6,6]-3:C[3x6]-4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[5,3x6]-4:N[6,6]-2:C[5]-3:	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H){1|H<1>,1|S<2>,5|C<3>}	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6,6](C[5,3x6]C[6,6,6a]2S[5])(N[6,6]C[3x6])(C[5]C[5]H){1|H<1>,5|C<3>}	109.7415	0.025	2	109.7415	0.001	2	109.7415	0.001	2	109.7415	0.001	2	109.7415	0.001	2	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5,6]	4:3:	4:2:2:4:	3:2:2:	C[6,6]-4:C[5,6]-3:	C[6,6]-4:O[6]-2:N[6]-2:C-4:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5])	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3)	C[5,6](N[5,6]C[6,6]C[5])(N[6]C[6,6])(S[5]C[5])	N[6](C[6,6]C[6,6]O[6]C)(C[5,6]N[5,6]S[5]){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]HH)(O[6]C[6,6a])(N[6]C[5,6])(CH3){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6](N[5,6]C[6,6]C[5])(N[6]C[6,6])(S[5]C[5]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	116.6040	0.000	1	116.6040	0.000	1	116.6040	0.000	1	116.6040	0.000	1	115.6830	1.696	2	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6,6]	C[5,6]	4:3:	4:4:4:2:	3:2:3:	C[6,6]-4:C[5,6]-3:	C[5,6]-4:C[6]-4:C[6]-4:N[6]-2:	N[5,6]-3:N[6]-2:C[5]-3:	N[6](C[6,6]C[5,6]C[6]2)(C[5,6]N[5,6]C[5])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6])	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H)	N[6](C[6,6]C[5,6]C[6]2)(C[5,6]N[5,6]C[5]){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)2(N[6]C[5,6]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(N[6]C[6,6])(C[5]C[5]H){1|H<1>,5|C<4>}	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	114.7620	0.000	1	115.6830	1.696	2	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:1:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(H)2{2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	111.6290	0.000	1	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCCH)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	112.9380	1.137	2	112.9380	1.293	2	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.4170	0.488	2	114.4170	0.238	2	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.9190	0.000	1	114.9190	0.000	1	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHO)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	112.6600	1.623	6	112.6600	2.634	6	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6]HO)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	115.0490	0.000	1	115.0490	0.000	1	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.9020	0.000	1	114.9020	0.000	1	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]CH)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	114.5615	0.257	4	114.5615	0.066	4	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	112.4550	0.000	1	112.4550	0.000	1	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.5130	0.000	1	114.5130	0.000	1	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HN)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	114.9270	0.383	2	114.9270	0.147	2	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.3115	0.063	2	114.3115	0.004	2	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:1:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HO)(H){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|H<1>,5|C<4>}	114.9142	0.463	5	114.9142	0.214	5	114.0644	1.553	28	114.0644	1.553	28	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:4:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CCHH)(CH3){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	115.3280	0.000	1	115.3280	0.000	1	115.5540	0.382	3	115.5540	0.382	3	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:4:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)(CH3){2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	115.0810	0.000	1	115.0810	0.000	1	115.5540	0.382	3	115.5540	0.382	3	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6,6]	3:4:	2:3:4:4:	4:4:2:	C[5,6,6]-3:C[6]-4:	N[6]-2:C[6]-3:C-4:C-4:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC)	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6]C[6]CC){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[5,6,6])(C[6]O[6]O)(CC[6a]HH)2{2|C<4>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,2|H<1>,6|C<4>}	116.2530	0.000	1	116.2530	0.000	1	115.5540	0.382	3	115.5540	0.382	3	114.1279	1.779	32	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:2:3:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:N[6]-2:C[6]-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){6|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:2:4:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C[5,6](N[5,6]C[5,6a]C[6,6a])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[5,6](N[5,6]C[5,6a]C[6,6a])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	115.0750	0.000	1	115.6690	0.384	3	115.7067	0.261	4	115.7067	0.261	4	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	115.6210	0.000	1	115.6690	0.384	3	115.7067	0.261	4	115.7067	0.261	4	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.3110	0.000	1	115.6690	0.384	3	115.7067	0.261	4	115.7067	0.261	4	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	115.8200	0.000	1	115.8200	0.000	1	115.7067	0.261	4	115.7067	0.261	4	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	3:4:2:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	N[5,6a]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6])	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	113.3145	0.851	2	113.3145	0.724	2	113.3145	0.724	2	113.3145	0.724	2	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:2:2:	C[5,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|N<3>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	116.2270	0.000	1	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	3:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-3:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6])	N[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]){1|Co<7>,1|N<3>,3|C<4>,4|H<1>}	115.5375	0.705	2	115.5375	0.497	2	115.5375	0.497	2	115.5375	0.497	2	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,5,6]N[5,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6])	N[6](C[5,6]C[5,5,6]N[5,6])(C[6]C[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.5963	3.016	3	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:C[5,6a]-3:N[6]-2:	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(N[6]C[6]){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	118.3210	0.000	1	118.3210	0.000	1	118.3210	0.000	1	116.5963	3.016	3	115.4221	2.233	14	114.3770	3.052	50
914	466	818	6:SP2_SP2_SP3	N[6]	C[6]	C[5,6]	3:4:	4:2:1:1:	4:3:2:	C[5,6]-3:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	C[5,6]-4:N[5,6]-3:N[6]-2:	N[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6])	N[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]HH){3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(N[6]C[5,6])(H)2{1|H<1>,1|N<3>,2|C<4>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6]){4|C<4>,8|H<1>}	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	116.5963	3.016	3	115.4221	2.233	14	114.3770	3.052	50
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){2|Cl<1>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	119.4130	1.183	3	118.6280	4.478	8	118.2173	4.232	10	118.2173	4.232	10	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	118.7207	3.404	3	118.6280	4.478	8	118.2173	4.232	10	118.2173	4.232	10	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6])(N[6]P[6])2(O[6]C[6]){3|Cl<1>,1|C<4>,2|N<2>,4|H<1>}	117.3115	0.189	2	118.6280	4.478	8	118.2173	4.232	10	118.2173	4.232	10	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:N[6]-2:N[6]-2:O[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6])	N[6](P[6,6]N[6]2O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|O<2>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6])(N[6]P[6])(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|S<2>,4|H<1>}	116.5745	0.008	2	116.5745	0.000	2	118.2173	4.232	10	118.2173	4.232	10	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	2:3:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-2:N[6]-3:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6])	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]P[6,6])(N[6]C[6]C)(N[6]C[6])(N[6]P[6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|H<1>}	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	115.7590	0.000	1	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|C<4>,1|N<2>,4|H<1>,4|N<3>}	111.9665	0.107	2	116.9225	21.841	6	116.9225	21.841	6	116.9225	21.841	6	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{1|Cl<1>,1|C<4>,2|C<3>,2|N<2>,4|H<1>}	116.4170	0.000	1	116.9225	21.841	6	116.9225	21.841	6	116.9225	21.841	6	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	116.4250	0.000	1	116.9225	21.841	6	116.9225	21.841	6	116.9225	21.841	6	117.6157	9.828	17	117.6157	9.828	17
914	466	849	6:SP2_SP3_SP3	N[6]	C[6]	P[6,6]	4:4:	4:2:1:1:	3:2:2:2:	P[6,6]-4:C[6]-4:	C[6]-4:N[6]-2:H-1:H-1:	N[6]-3:N[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]3)(C[6]C[6]HH)	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2	N[6](P[6,6]N[6]3)(C[6]C[6]HH){2|C<4>,2|H<1>,2|P<4>}	C[6](C[6]C[6]HH)(N[6]P[6,6])(H)2{1|N<3>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6]C)(N[6]C[6])(N[6]P[6])2{3|Cl<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	122.3800	0.000	2	116.9225	21.841	6	116.9225	21.841	6	116.9225	21.841	6	117.6157	9.828	17	117.6157	9.828	17
914	466	856	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	3:4:	3:2:4:4:	3:2:1:	N[6]-3:C[6]-4:	N[6]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:N[6]-2:O-1:	N[6](N[6]C[6,6a]O)(C[6]N[6]CC)	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	N[6](N[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.4055	1.406	2	117.4055	1.978	2	117.4055	1.978	2	117.4055	1.978	2	117.4055	1.978	2	117.4055	1.978	2
914	466	856	6:SP2_SP3_SP3	N[6]	C[6]	N[6]	3:4:	3:2:3:1:	3:4:2:	N[6]-3:C[6]-4:	C[6]-3:N[6]-2:N-3:H-1:	C[6a]-3:C[6]-4:N[6]-2:	N[6](N[6]C[6a]C[6])(C[6]C[6]HN)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6])	N[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1
914	466	914	6:SP2_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	4:2:	4:4:2:1:	4:2:	C[3x6]-4:N[6,6]-2:	C[3,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[5,3x6]-4:N[6,6]-2:	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(N[6,6]C[5,3x6])	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H)	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6])	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(N[6,6]C[5,3x6]){2|H<1>,2|O<2>,3|C<4>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(C[6,6]C[5,6,6]HO)(N[6,6]N[6,6])(H){1|C<4>,1|N<3>,2|H<1>}	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6]){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	114.7810	0.000	1	114.7810	0.000	1	114.7810	0.000	1	114.6663	0.013	3	114.6663	0.013	3	115.1116	3.354	7
914	466	914	6:SP2_SP2_SP3	N[6,6]	C[3x6]	N[6,6]	4:2:	4:4:2:1:	4:2:	C[3x6]-4:N[6,6]-2:	C[4,6,6]-4:C[6,6]-4:N[6,6]-2:H-1:	C[3x6]-4:N[6,6]-2:	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6])	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H)	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6])	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6]){3|C<4>,4|H<1>}	C[3x6](C[4,6,6]C[4,6,6]C[4,4]H)(C[6,6]C[6,6]HH)(N[6,6]N[6,6])(H){3|C<4>,4|H<1>}	N[6,6](C[3x6]C[4,6,6]C[6,6]H)(N[6,6]C[3x6]){3|C<4>,4|H<1>}	114.6090	0.076	2	114.6090	0.006	2	114.6090	0.006	2	114.6663	0.013	3	114.6663	0.013	3	115.1116	3.354	7
914	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:	3:2:4:1:	3:2:	C[6]-4:N[6]-2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-3:N[6]-2:	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6])	N[6](C[6]N[6]CH)(N[6]C[6]){1|N<2>,2|C<3>}	C[6](N[6]N[6]C)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	114.8550	0.561	2	114.8550	0.315	2	114.2670	1.195	3	114.2670	1.195	3	115.4455	6.352	4	115.1116	3.354	7
914	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:	3:2:4:1:	3:2:	C[6]-4:N[6]-2:	N[6]-3:N[6]-2:C-4:H-1:	C[6]-3:N[6]-2:	N[6](C[6]N[6]CH)(N[6]C[6])	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H)	N[6](C[6]C[6a]N[6])(N[6]C[6])	N[6](C[6]N[6]CH)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>}	C[6](N[6]N[6]H)(N[6]N[6])(CH3)(H){1|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	113.0910	0.000	1	113.0910	0.000	1	114.2670	1.195	3	114.2670	1.195	3	115.4455	6.352	4	115.1116	3.354	7
914	466	914	6:SP2_SP2_SP3	N[6]	C[6]	N[6]	4:2:	4:2:3:3:	3:2:	C[6]-4:N[6]-2:	C[6]-4:N[6]-2:C-3:C-3:	N[6]-3:N[6]-2:	N[6](C[6]C[6]CC)(N[6]N[6])	C[6](C[6]C[6]HH)(N[6]N[6])(COO)2	N[6](N[6]C[6]C)(N[6]C[6])	N[6](C[6]C[6]CC)(N[6]N[6]){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(N[6]N[6])(COO)2{1|C<3>,1|H<1>,1|N<3>}	N[6](N[6]C[6]C)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	115.4455	6.352	4	115.1116	3.354	7
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	2:2:1:1:	3:2:1:1:	S[6]-4:C[6]-4:	N[6]-2:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)	C[6](N[6]C[6,6a])(N[6]S[6])(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH){2|C<3>}	C[6](N[6]C[6,6a])(N[6]S[6])(H)2{2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|N<2>,2|C<3>,3|H<1>}	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:2:1:1:	3:2:1:1:	S[6]-4:C[6]-4:	C[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH)	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]HH){1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]N)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{3|C<3>,3|H<1>}	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	112.2815	0.836	2	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:2:1:1:	3:2:1:1:	S[6]-4:C[6]-4:	N[6]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH)	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]N[6]HH){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C)(N[6]S[6])(H)2{2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	112.2815	0.836	2	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:2:3:2:	3:2:1:1:	S[6]-4:C[6]-4:	C[6]-3:N[6]-2:C-3:O-2:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO)	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	N[6](S[6]C[6,6a]OO)(C[6]C[6]CO){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(N[6]S[6])(COO)(OH){2|C<3>,2|O<1>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|H<1>,1|O<2>,4|C<3>}	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:2:4:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:N[6]-2:C-4:H-1:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.3030	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:2:4:4:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:N[6]-2:C-4:C-4:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{2|C<3>,2|C<4>}	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:3:2:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|H<1>,3|C<3>}	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:3:2:3:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{4|C<3>}	116.4680	0.000	1	116.4680	0.000	1	116.4680	0.000	1	116.4680	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:3:2:4:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|P<4>,3|C<3>}	122.5380	0.000	1	122.5380	0.000	1	122.5380	0.000	1	122.5380	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	3:4:2:1:	2:2:1:1:	C[6]-4:S[6]-4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	O[6]-2:N[6]-2:O-1:O-1:	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	S[6](O[6]C[6,6a])(N[6]C[6])(O)2	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	S[6](O[6]C[6,6a])(N[6]C[6])(O)2{1|C<4>,1|H<1>,2|C<3>}	116.5480	0.000	1	116.5480	0.000	1	116.5480	0.000	1	116.5480	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	4:2:4:1:	3:2:1:1:	S[6]-4:C[6]-4:	C[6]-4:N[6]-2:C-4:H-1:	N[6,6]-3:N[6]-2:O-1:O-1:	N[6](S[6]N[6,6]OO)(C[6]C[6]CH)	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H)	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2	N[6](S[6]N[6,6]OO)(C[6]C[6]CH){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]S[6])(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	S[6](N[6,6]C[6,6]C[6])(N[6]C[6])(O)2{4|C<4>,4|H<1>}	115.6985	0.545	2	115.6985	0.297	2	115.6985	0.297	2	115.6985	0.297	2	116.1391	12.368	13	116.1391	12.368	13
914	466	961	6:SP2_SP3_SP3	N[6]	C[6]	S[6]	4:4:	4:3:2:1:	3:2:1:1:	C[6]-4:S[6]-4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:N[6]-2:O-1:O-1:	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)2{1|C<4>,2|H<1>,3|C<3>}	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	114.1100	0.000	1	116.1391	12.368	13	116.1391	12.368	13
914	474	542	6:SP2_SP2_SP3	N[6]	C[5,6]	N[5,6]	4:3:	3:4:2:1:	4:3:2:	C[5,6]-4:N[5,6]-3:	C[5,6]-3:C[5]-4:N[6]-2:H-1:	C[5,6]-4:C[5]-3:N[6]-2:	N[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6])	N[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5]){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]N[5,6])(H){1|C<3>,1|C<4>,5|H<1>}	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5])(N[6]C[5,6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1	112.4370	0.000	1
914	474	727	6:SP2_SP2_SP3	N[6]	C[5,3x6]	C[5a,6]	4:3:	3:3:4:2:	3:3:2:	C[5,3x6]-4:C[5a,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6a]C[5a,6])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6])	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6a]C[5a,6]){1|N<3>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6]){2|C<4>,2|H<1>,4|C<3>}	118.6120	0.000	1	118.6120	0.000	1	118.5895	0.001	2	118.5895	0.001	2	118.5895	0.001	2	118.8445	0.124	4
914	474	727	6:SP2_SP2_SP3	N[6]	C[5,3x6]	C[5a,6]	4:3:	3:3:4:2:	3:3:2:	C[5,3x6]-4:C[5a,6]-3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,3x6]-4:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6a]C[5a,6])	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6])	N[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6a]C[5a,6]){1|N<3>,9|C<3>}	C[5,3x6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,3x6]C[5,6,6a]2C[6])(N[6]C[5a,6]){10|C<3>,1|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(N[6]C[5,3x6]){2|C<4>,2|H<1>,4|C<3>}	118.5670	0.000	1	118.5670	0.000	1	118.5895	0.001	2	118.5895	0.001	2	118.5895	0.001	2	118.8445	0.124	4
914	474	727	6:SP2_SP2_SP3	N[6]	C[5,6]	C[5a,6]	4:3:	4:3:2:3:	3:2:2:	C[5,6]-4:C[5a,6]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	N[5a,6]-3:N[6]-2:S[5a]-2:	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5a,6]N[5a,6]S[5a])	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C[5a,6](N[5a,6]C[5a]N[6])(N[6]C[5,6])(S[5a]C[5a])	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5a,6]N[5a,6]S[5a]){1|C<4>,2|N<3>,6|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]N[6])(N[6]C[5,6])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.0995	0.333	2	119.0995	0.111	2	119.0995	0.111	2	119.0995	0.111	2	119.0995	0.111	2	118.8445	0.124	4
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6,6]	C[6]	4:3:	4:4:3:2:	2:3:3:	C[5,6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:N[6]-2:	N[6]-2:C[6a]-3:C[6]-3:	N[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6a]C[6])	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6])	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6]C[6a]C[6]){1|N<2>,2|H<1>,2|O<1>,3|C<3>,3|C<4>}	C[5,6,6](C[5,6,6]C[6]2N[5])(C[6]C[6]HH)(C[5]C[5]O)(N[6]C[6]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6](N[6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:2:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[6]-2:	N[6]-3:N[6]-2:S-2:	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[6]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6])	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC)	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[6]S){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]N[5]O)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC){1|H<1>,2|C<3>,2|C<4>}	120.6320	0.000	1	120.6320	0.000	1	120.6320	0.000	1	120.6320	0.000	1	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	3:4:3:2:	3:2:3:	C[5,6]-4:C[6]-3:	C[5,6a]-3:C[6]-4:C[5]-3:N[6]-2:	N[5a,6]-3:N[6]-2:N-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5a,6]N){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5a,6]HH)(C[5]N[5]O)(N[6]C[6]){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	118.1190	0.182	2	118.1190	0.033	2	118.1190	0.033	2	118.1190	0.033	2	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:2:2:3:	4:2:4:	C[5,6]-4:C[6]-3:	C[5]-4:O[5,6]-2:N[6]-2:N-3:	C[6]-4:N[6]-2:C-4:	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C)	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS)	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3)	N[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6](C[5]C[5a]O[5]H)(O[5,6]C[5,6])(N[6]C[6])(NCS){1|C<3>,1|S<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(N[6]C[5,6])(CH3){1|N<3>,2|C<4>,2|O<2>}	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	116.3100	0.000	1	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:3:2:2:	2:2:3:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[6a]-3:N[6]-2:O[5]-2:	N[6]-2:S[6]-2:N-3:	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N)	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5])	C[6](N[6]C[5,6])(S[6]C[6])(NCH)	N[6](C[5,6]C[5,6]C[6a]O[5])(C[6]S[6]N){1|H<1>,2|C<3>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(O[5]C[5]){1|F<1>,1|N<3>,1|S<2>,2|C<3>,7|H<1>}	C[6](N[6]C[5,6])(S[6]C[6])(NCH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	123.1200	0.054	2	123.1200	0.003	2	123.1200	0.003	2	123.1200	0.003	2	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:3:2:2:	4:2:2:	C[5,6]-4:C[6]-3:	C[5]-4:C[6]-3:N[6]-2:O[5]-2:	C[6]-4:N[6]-2:O-2:	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5])	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O){1|C<3>,1|C<4>,1|O<2>,2|N<2>,3|H<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)(N[6]C[6])(O[5]N[5]){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,1|C<4>,1|O<2>}	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	117.5330	0.000	1	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:2:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	N[6]-2:O[6]-2:O-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H)	C[6](N[6]C[5,6])(O[6]C[6])(O)	N[6](C[5,6]C[5,6]C[5]H)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]HO)(N[6]C[6])(H){1|O<1>,1|O<2>,1|S<4>,4|H<1>}	C[6](N[6]C[5,6])(O[6]C[6])(O){2|C<4>,3|H<1>}	126.3040	0.000	1	126.3040	0.000	1	126.3040	0.000	1	126.3040	0.000	1	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:1:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	N[6]-2:C[6]-3:H-1:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){2|C<4>,2|H<1>}	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:2:	C[5,6]-4:C[6]-3:	C[5,5]-4:C[5,6]-4:N[6]-2:H-1:	N[6]-2:C[6]-3:S-2:	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]S)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(SC)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]S){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]N[5]H)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(SC){2|C<4>,2|H<1>}	116.6550	0.000	1	116.6550	0.000	1	116.6550	0.000	1	116.8665	0.089	2	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:2:1:	2:3:2:	C[5,6]-4:C[6]-3:	C[5,6]-4:C[5]-4:N[6]-2:H-1:	N[6]-2:C[6]-3:S-2:	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]S)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(SC[6a])	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]S){1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(N[6]C[6])(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(SC[6a]){2|C<4>,2|H<1>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	116.8665	0.089	2	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:3:2:	4:2:2:	C[5,6]-4:C[6]-3:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-4:N[6]-2:O-2:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6])	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,5|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]N[6]O)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]CH)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	118.6015	0.151	2	118.6015	0.023	2	119.3330	0.722	4	119.3330	0.722	4	119.4571	7.982	15	119.5906	7.735	16
914	474	762	6:SP2_SP2_SP3	N[6]	C[5,6]	C[6]	4:3:	4:4:3:2:	4:2:2:	C[5,6]-4:C[6]-3:	C[5]-4:C[5]-4:C[6]-3:N[6]-2:	C[6]-4:N[6]-2:O-2:	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O)	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6])	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC)	N[6](C[5,6]C[5]2C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[5]C[5]HH)2(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]O[6]CC)(N[6]C[5,6])(OC){1|C<3>,2|C<4>}	120.0645	0.040	2	120.0645	0.002	2	119.3330	0.722	4	119.3330	0.722	4	119.4571	7.982	15	119.5906	7.735	16
914	474	818	6:SP2_SP2_SP3	N[6]	C[5,6]	C[5,6]	4:3:	4:2:3:1:	3:2:2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5,5])	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5,5]){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	117.9757	0.331	3	117.9757	0.109	3	117.9140	0.088	4	117.9140	0.088	4	118.2007	0.314	6	118.2007	0.314	6
914	474	818	6:SP2_SP2_SP3	N[6]	C[5,6]	C[5,6]	4:3:	4:2:3:1:	3:2:2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5])	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5])	N[6](C[5,6]C[5,6]N[5]H)(C[5,6]N[5,6]S[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5]){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	117.7290	0.000	1	117.7290	0.000	1	117.9140	0.088	4	117.9140	0.088	4	118.2007	0.314	6	118.2007	0.314	6
914	474	818	6:SP2_SP2_SP3	N[6]	C[5,6]	C[5,6]	4:3:	4:3:2:3:	3:2:2:	C[5,6]-4:C[5,6]-3:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	N[5,6]-3:N[6]-2:S[5]-2:	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5,6]N[5,6]S[5])	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5,5])	N[6](C[5,6]C[5,6]C[6a]N[5])(C[5,6]N[5,6]S[5]){2|C<4>,2|N<3>,5|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]N[6])(N[6]C[5,6])(S[5]C[5,5]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	118.7740	0.564	2	118.7740	0.318	2	118.7740	0.318	2	118.7740	0.318	2	118.2007	0.314	6	118.2007	0.314	6
914	474	914	6:SP2_SP2_SP3	N[6,6]	C[5,3x6]	N[6,6]	4:2:	4:4:2:4:	4:2:	C[5,3x6]-4:N[6,6]-2:	C[3,6,6]-4:C[5,6,6]-4:N[6,6]-2:C[5]-4:	C[3x6]-4:N[6,6]-2:	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6])	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH)	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(N[6,6]C[5,3x6])	N[6,6](C[5,3x6]C[3,6,6]C[5,6,6]C[5])(N[6,6]C[3x6]){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[3,6,6]C[3,6,6]O[3]H)(C[5,6,6]C[6,6]N[5]H)(N[6,6]N[6,6])(C[5]C[5]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6,6](C[3x6]C[3,6,6]C[6,6]H)(N[6,6]C[5,3x6]){2|H<1>,2|O<2>,3|C<4>}	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	115.7680	0.000	1	116.4882	25.469	4
914	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:	3:4:2:3:	2:3:	C[5,6]-4:N[6]-2:	N[5,6]-3:C[5]-4:N[6]-2:C-3:	N[6]-2:C[6]-3:	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO)	N[6](N[6]C[5,6])(C[6]C[6]O)	N[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO){1|C<3>,2|H<1>,3|O<1>}	N[6](N[6]C[5,6])(C[6]C[6]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	109.6330	0.000	1	116.7283	37.858	3	116.4882	25.469	4
914	474	914	6:SP2_SP2_SP3	N[6]	C[5,6]	N[6]	4:2:	4:3:2:4:	3:2:	C[5,6]-4:N[6]-2:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	N[6]-3:N[6]-2:	N[6](C[5,6]C[5,6]C[5]C)(N[6]N[6])	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	N[6](N[6]C[5,6]C)(N[6]C[5,6])	N[6](C[5,6]C[5,6]C[5]C)(N[6]N[6]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](N[6]C[5,6]C)(N[6]C[5,6]){1|C<3>,4|C<4>}	120.2760	0.447	2	120.2760	0.200	2	120.2760	0.200	2	120.2760	0.200	2	116.7283	37.858	3	116.4882	25.469	4
914	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:	4:3:2:2:	4:2:2:	C[4,6]-4:C[6]-3:	C[4,6]-4:C[4]-3:N[6]-2:C-2:	C[5,6]-4:N[6]-2:O-2:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]H)(N[6]C[6])(CH)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]H)(N[6]C[6])(CH){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	119.6137	2.783	3	119.6137	2.783	3
914	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:	4:3:2:4:	4:2:2:	C[4,6]-4:C[6]-3:	C[4,6]-4:C[4]-3:N[6]-2:C-4:	C[5,6]-4:N[6]-2:O-2:	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O)	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]H)(N[6]C[6])(CH3)	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC)	N[6](C[4,6]C[4,6]C[4]C)(C[6]C[5,6]O){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[4,6](C[4,6]C[5,6]C[4]C)(C[4]C[4]H)(N[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[6]C[4,6])(OC){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	119.6137	2.783	3	119.6137	2.783	3
914	478	762	6:SP2_SP2_SP3	N[6]	C[4,6]	C[6]	4:3:	4:4:4:2:	3:2:3:	C[4,6]-4:C[6]-3:	C[6]-4:C[4]-4:C[4]-4:N[6]-2:	C[6,6a]-3:N[6]-2:C-3:	N[6](C[4,6]C[4]2C[6])(C[6]C[6,6a]C)	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO)	N[6](C[4,6]C[4]2C[6])(C[6]C[6,6a]C){1|C<4>,2|C<3>,6|H<1>}	C[4,6](C[6]C[6,6a]HH)(C[4]C[4]HH)2(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6])(COO){1|H<1>,2|C<3>,3|C<4>}	117.6890	0.000	1	117.6890	0.000	1	117.6890	0.000	1	117.6890	0.000	1	119.6137	2.783	3	119.6137	2.783	3
914	486	762	6:SP2_SP2_SP3	N[6]	C[3,6]	C[6]	4:3:	4:4:3:2:	4:2:2:	C[3,6]-4:C[6]-3:	C[3]-4:C[3]-4:C[6]-3:N[6]-2:	C[6]-4:N[6]-2:O-2:	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O)	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6])	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC)	N[6](C[3,6]C[3]2C[6])(C[6]C[6]O){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[3,6](C[3]C[3]CH)(C[3]C[3]HH)(C[6]O[6]O)(N[6]C[6]){1|C<4>,1|O<2>}	C[6](C[6]O[6]CC)(N[6]C[3,6])(OC){1|C<3>,2|C<4>}	117.3940	0.761	2	117.3940	0.579	2	117.3940	0.579	2	117.3940	0.579	2	117.3940	0.579	2	117.3940	0.579	2
914	486	818	6:SP2_SP2_SP3	N[6]	C[3,6]	C[5,6]	4:3:	4:2:3:2:	3:3:2:	C[3,6]-4:C[5,6]-3:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](C[3,6]C[3]C[6]H[3])(C[5,6]N[5,6]N[5])	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[3,6])	N[6](C[3,6]C[3]C[6]H[3])(C[5,6]N[5,6]N[5]){1|Cu<5>,1|N<2>,2|C<3>,3|H<1>}	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]Cu)(N[6]C[3,6]){1|C<3>,1|H<1>,1|H<2>,2|C<4>}	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1	116.3120	0.000	1
914	542	762	6:SP2_SP2_SP2	N[6]	N[5,6]	C[6]	3:3:	3:3:2:	2:3:3:	N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N)	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6])	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N){1|N<3>,1|O<1>,3|N<2>}	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6]){1|H<1>,2|N<3>}	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	111.9480	0.000	1	112.1135	0.055	2	112.1135	0.055	2	112.1135	0.055	2	112.8325	0.558	6	112.8325	0.558	6
914	542	762	6:SP2_SP2_SP2	N[6]	N[5,6]	C[6]	3:3:	3:3:2:	2:3:3:	N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N)	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6])	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N){1|O<1>,2|N<2>,2|N<3>}	N[5,6](C[5,6]N[5]N[6])(C[5]N[5]N)(N[6]C[6]){1|H<1>,2|N<3>}	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	112.2790	0.000	1	112.1135	0.055	2	112.1135	0.055	2	112.1135	0.055	2	112.8325	0.558	6	112.8325	0.558	6
914	542	762	6:SP2_SP2_SP2	N[6]	N[5,6]	C[6]	3:3:	3:3:2:	4:2:4:	N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:N[6]-2:	C[6]-4:N[6]-2:C-4:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)	N[5,6](C[5,6]N[5]S[6])(C[5]N[5]C)(N[6]C[6])	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]C){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[5]N[5]C)(N[6]C[6]){1|Ru<6>,2|C<4>}	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3){2|C<3>}	114.0700	0.000	1	114.0700	0.000	1	113.3280	1.101	2	113.3280	1.101	2	112.8325	0.558	6	112.8325	0.558	6
914	542	762	6:SP2_SP2_SP2	N[6]	N[5,6]	C[6]	3:3:	3:3:2:	4:2:4:	N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:N[6]-2:	C[6]-4:N[6]-2:C-4:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)	N[5,6](C[5,6]N[5]S[6])(C[5]N[5]H)(N[6]C[6])	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6]C){1|N<2>,1|N<3>,1|S<2>,3|H<1>}	N[5,6](C[5,6]N[5]S[6])(C[5]N[5]H)(N[6]C[6]){1|Ru<6>,2|C<4>}	C[6](C[6]S[6]HH)(N[6]N[5,6])(CH3){2|C<3>}	112.5860	0.000	1	112.5860	0.000	1	113.3280	1.101	2	113.3280	1.101	2	112.8325	0.558	6	112.8325	0.558	6
914	542	762	6:SP2_SP2_SP2	N[6]	N[5,6]	C[6]	3:3:	4:4:2:	3:2:1:	N[5,6]-3:C[6]-3:	C[5,6]-4:C[5]-4:N[6]-2:	C[6,6a]-3:N[6]-2:H-1:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|H<1>,2|C<3>,2|C<4>}	113.0560	0.099	2	113.0560	0.010	2	113.0560	0.010	2	113.0560	0.010	2	112.8325	0.558	6	112.8325	0.558	6
914	542	762	6:SP2_SP2_SP3	N[6]	N[5,6]	C[6]	3:3:	4:3:2:	3:2:1:	N[5,6]-3:C[6]-3:	C[5,6]-4:C[5]-3:N[6]-2:	C[6,6a]-3:N[6]-2:H-1:	N[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H)	N[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]H){2|C<4>,4|C<3>}	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[6a]C[5])(N[6]C[6]){3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[5,6])(H){1|C<4>,1|H<1>,3|C<3>}	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1	116.7380	0.000	1
914	562	818	6:SP2_SP2_SP3	N[6]	Si[5,6]	C[5,6]	4:3:	4:2:2:2:	3:3:2:	Si[5,6]-4:C[5,6]-3:	C[5,6,6]-4:N[6]-2:O[5]-2:N-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[6](Si[5,6]C[5,6,6]O[5]N)(C[5,6]N[5,6]N[5])	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5])	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[6a]C[5])(N[6]Si[5,6])	N[6](Si[5,6]C[5,6,6]O[5]N)(C[5,6]N[5,6]N[5]){1|Si<4>,2|C<4>,4|C<3>}	Si[5,6](C[5,6,6]C[5,6]C[6,6]C)(N[6]C[5,6])(O[5]Si[5])(NC[5]){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[6a]C[5])(N[6]Si[5,6]){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1
914	562	914	6:SP2_SP2_SP3	N[6]	Si[5,6]	N[6]	4:2:	4:4:2:2:	2:3:	Si[5,6]-4:N[6]-2:	C[5]-4:C[5]-4:N[6]-2:O[6]-2:	N[6]-2:C[6]-3:	N[6](Si[5,6]C[5]2O[6])(N[6]C[6])	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6])	N[6](N[6]Si[5,6])(C[6]C[6]C)	N[6](Si[5,6]C[5]2O[6])(N[6]C[6]){4|Si<4>,2|C<3>,2|C<4>}	Si[5,6](C[5]C[5]Si2)2(N[6]N[6])(O[6]C[6]){2|C<3>,4|H<1>}	N[6](N[6]Si[5,6])(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>}	124.2790	0.000	1	124.2790	0.000	1	124.2790	0.000	1	124.2790	0.000	1	124.2790	0.000	1	124.2790	0.000	1
914	606	849	6:SP2_SP3_SP3	N[6]	Ge[5,6]	P[6]	4:4:	3:2:2:2:	2:4:4:4:	Ge[5,6]-4:P[6]-4:	P[5]-3:N[6]-2:O[5]-2:O[6]-2:	N[6]-2:C[6]-4:C-4:C-4:	N[6](Ge[5,6]O[5]O[6]P[5])(P[6]C[6]CC)	Ge[5,6](P[5]C[5]C)(N[6]P[6])(O[5]C[5])(O[6]C[6])	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2	N[6](Ge[5,6]O[5]O[6]P[5])(P[6]C[6]CC){1|C<3>,2|H<1>,3|C<4>}	Ge[5,6](P[5]C[5]C)(N[6]P[6])(O[5]C[5])(O[6]C[6]){1|H<1>,7|C<4>}	P[6](N[6]Ge[5,6])(C[6]C[6]HH)(CC3)2{1|P<3>,2|C<4>,2|O<2>}	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1	121.9060	0.000	1
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6,6]	3:2:	4:2:	3:3:2:	C[6,6]-3:O[6]-2:	C[5,6]-4:N[6]-2:	C[6,6]-3:C[6]-3:N[6]-2:	N[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6])	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6])	N[6](C[6,6]C[6,6]C[6])(O[6]C[5,6]){1|H<1>,2|C<3>,3|C<4>}	O[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6]){2|C<3>,2|C<4>,2|H<1>}	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	117.6310	0.000	1	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	2:3:	4:2:	3:2:1:	O[6]-2:C[6]-3:	C[6,6]-4:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](O[6]C[6,6])(C[6]C[6]H)	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]O[6])(H)	N[6](O[6]C[6,6])(C[6]C[6]H){1|C<3>,3|C<4>}	O[6](C[6,6]C[6,6]C[6]2)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]C)(N[6]O[6])(H){1|C<4>,1|H<1>}	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.5850	0.000	1	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	2:3:	4:2:	3:2:4:	O[6]-2:C[6]-3:	C[6,6]-4:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6])	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH)	N[6](O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6]C[6]O)(N[6]C[6]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]C)(N[6]O[6])(CCHH){1|H<1>,2|C<4>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	2:3:	4:2:	4:2:3:	O[6]-2:C[6]-3:	C[6,6]-4:N[6]-2:	C[6]-4:N[6]-2:C-3:	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]HH)(N[6]O[6])(CNO)	N[6](O[6]C[6,6])(C[6]C[6]C){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]HH)(N[6]O[6])(CNO){1|O<2>,2|C<4>}	118.9550	0.000	1	118.9550	0.000	1	118.1360	1.342	2	118.1360	1.342	2	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	2:3:	4:2:	4:2:3:	O[6]-2:C[6]-3:	C[6,6]-4:N[6]-2:	C[6]-4:N[6]-2:C-3:	N[6](O[6]C[6,6])(C[6]C[6]C)	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]HH)(N[6]O[6])(COO)	N[6](O[6]C[6,6])(C[6]C[6]C){2|C<4>,3|H<1>}	O[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(N[6]O[6])(COO){1|C<3>,1|C<4>,1|O<2>}	117.3170	0.000	1	117.3170	0.000	1	118.1360	1.342	2	118.1360	1.342	2	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:O[6]-2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|Co<6>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|Co<6>,1|C<3>,1|O<2>,2|N<2>}	111.6070	0.188	2	113.7473	3.998	10	113.7473	3.998	10	113.7473	3.998	10	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:O[6]-2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	115.5240	0.058	2	113.7473	3.998	10	113.7473	3.998	10	113.7473	3.998	10	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	3:2:	3:2:2:	C[6]-3:O[6]-2:	C[6]-3:N[6]-2:	C[5a]-3:N[6]-2:O[6]-2:	N[6](C[6]C[5a]O[6])(O[6]C[6])	O[6](C[6]C[5a]N[6])(N[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	O[6](C[6]C[5a]N[6])(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	113.8685	2.019	6	113.7473	3.998	10	113.7473	3.998	10	113.7473	3.998	10	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:2:1:	C[6]-3:O[6]-2:	B[6]-4:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6]C[6]H)(O[6]B[6])	O[6](B[6]O[6]FF)(N[6]C[6])	C[6](C[6]O[6]N)(N[6]O[6])(H)	N[6](C[6]C[6]H)(O[6]B[6]){1|N<3>,1|O<2>,2|F<1>}	O[6](B[6]O[6]FF)(N[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]O[6]N)(N[6]O[6])(H){1|B<4>}	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	117.2510	0.000	1	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:3:2:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[5a]-3:S[6]-3:N[6]-2:	N[6](C[6]C[5a]S[6])(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6])	N[6](C[6]C[5a]S[6])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|S<3>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6]){1|C<4>,2|C<3>,3|H<1>}	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	116.3752	13.714	4	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:3:2:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6]HH)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(O[6]C[6]){3|C<3>,3|H<1>}	O[6](C[6]C[6]HH)(N[6]C[6]){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	114.0440	0.000	1	114.0440	0.000	1	114.5670	0.953	3	116.3752	13.714	4	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:3:2:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){2|C<3>,2|H<1>,3|C<4>}	115.6930	0.000	1	114.8285	1.495	2	114.5670	0.953	3	116.3752	13.714	4	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:3:2:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6a]-3:N[6]-3:N[6]-2:	N[6](C[6]C[6a]N[6])(O[6]C[6])	O[6](C[6]C[6a]C[6]O)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	O[6](C[6]C[6a]C[6]O)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6]){1|C<4>,2|C<3>,4|H<1>}	113.9640	0.000	1	114.8285	1.495	2	114.5670	0.953	3	116.3752	13.714	4	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	3:4:2:	C[6]-3:O[6]-2:	B[5a,6]-4:N[6]-2:	C[6a]-3:P[6]-4:N[6]-2:	N[6](C[6]C[6a]P[6])(O[6]B[5a,6])	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(P[6]O[6]CC)(N[6]O[6])	N[6](C[6]C[6a]P[6])(O[6]B[5a,6]){2|C<3>,2|C<4>,3|O<2>}	O[6](B[5a,6]O[5a]2O[6])(N[6]C[6]){1|P<4>,3|C<3>}	C[6](C[6a]C[6a]2)(P[6]O[6]CC)(N[6]O[6]){1|B<4>,2|C<3>,2|C<4>}	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:1:	C[6]-3:O[6]-2:	C[5,6]-4:N[6]-2:	C[6]-4:N[6]-2:Cl-1:	N[6](C[6]C[6]Cl)(O[6]C[5,6])	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6])	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl)	N[6](C[6]C[6]Cl)(O[6]C[5,6]){1|C<3>,2|C<4>,2|H<1>}	O[6](C[5,6]C[5,6]C[5]H)(N[6]C[6]){1|Cl<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(N[6]O[6])(Cl){1|H<1>,2|C<3>,2|C<4>}	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	117.1680	0.010	2	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:1:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6]-4:N[6]-2:H-1:	N[6](C[6]C[6]H)(O[6]C[6])	O[6](C[6]C[6a]C[6]H)(N[6]C[6])	C[6](C[6]C[6]HH)(N[6]O[6])(H)	N[6](C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,3|H<1>}	O[6](C[6]C[6a]C[6]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(N[6]O[6])(H){1|C<4>,2|H<1>}	117.0990	0.000	1	117.0990	0.000	1	117.0990	0.000	1	117.1680	0.010	2	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:3:	C[6]-3:O[6]-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:N[6]-2:N-3:	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6])	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6](C[6,6]C[6,6a]O[6,6]C[6a])(N[6]C[6]){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	116.4470	0.071	2	116.4470	0.005	2	116.4788	0.045	5	116.4788	0.045	5	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:3:	C[6]-3:O[6]-2:	C[6,6]-4:N[6]-2:	C[6,6]-4:N[6]-2:N-3:	N[6](C[6]C[6,6]N)(O[6]C[6,6])	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6])	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO)	N[6](C[6]C[6,6]N)(O[6]C[6,6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6,6]C[6,6a]O[6,6]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6]O[6,6]C[6]H)(N[6]O[6])(NOO){1|C<3>,1|C<4>,2|H<1>}	116.5000	0.292	3	116.5000	0.085	3	116.4788	0.045	5	116.4788	0.045	5	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:4:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6]-4:N[6]-2:C-4:	N[6](C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6]CO)(N[6]C[6])	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO)	N[6](C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O[6](C[6]C[6]CO)(N[6]C[6]){2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CCHO){1|C<4>,2|C<3>,2|H<1>}	118.3800	0.192	2	118.3800	0.037	2	118.4477	0.032	3	118.4477	0.032	3	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:2:4:	C[6]-3:O[6]-2:	C[6]-4:N[6]-2:	C[6]-4:N[6]-2:C-4:	N[6](C[6]C[6]C)(O[6]C[6])	O[6](C[6]C[6]HO)(N[6]C[6])	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO)	N[6](C[6]C[6]C)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O[6](C[6]C[6]HO)(N[6]C[6]){2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(N[6]O[6])(CHHO){1|C<4>,2|C<3>,2|H<1>}	118.5830	0.000	1	118.5830	0.000	1	118.4477	0.032	3	118.4477	0.032	3	115.6376	7.023	33	115.6963	6.927	34
914	622	762	6:SP2_SP2_SP2	N[6]	O[6]	C[6]	3:2:	4:2:	4:3:2:	C[6]-3:O[6]-2:	C[5,6]-4:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6]C[6a]C[6])(O[6]C[5,6])	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6])	N[6](C[6]C[6a]C[6])(O[6]C[5,6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O[6](C[5,6]C[5,6]N[5]H)(N[6]C[6]){3|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]O[6]){2|C<4>,2|H<1>,3|C<3>}	111.9010	0.911	3	111.9010	0.830	3	111.9010	0.830	3	111.9010	0.830	3	115.6376	7.023	33	115.6963	6.927	34
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Re<6>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])2(N[6]C[6,6a]){1|Re<6>,2|N<3>,4|C<3>}	117.0380	0.502	2	117.0380	0.252	2	117.0380	0.252	2	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<3>,2|H<1>,3|C<3>}	116.1290	0.000	1	116.1290	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<3>,2|H<1>,3|C<3>}	117.4400	0.000	1	117.4400	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	118.0930	0.246	2	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|Cu<4>,2|H<1>,3|C<3>}	117.5650	0.000	1	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	118.2640	0.000	1	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	118.3841	0.279	16	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	119.4470	0.000	1	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<1>,2|H<1>,3|C<3>}	116.8290	0.000	1	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	117.6880	1.034	2	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){3|C<3>,3|H<1>}	118.3508	0.610	17	118.2872	0.332	41	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6,6a]){2|H<1>,4|C<3>}	117.3140	0.000	1	117.3140	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	117.8945	0.525	4	117.8945	0.275	4	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	116.0810	0.000	1	116.0810	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<4>,3|C<3>}	116.3810	0.000	1	116.3810	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	117.1520	0.000	1	117.1520	0.000	1	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	123.4611	1.451	7	123.4611	2.107	7	118.7255	3.854	58	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]N[6,6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](N[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	117.8330	0.000	1	117.8330	0.000	1	117.8330	0.000	1	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|N<3>,2|C<3>,2|H<1>}	121.4950	0.465	2	121.4950	0.216	2	121.4950	0.216	2	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,4|C<3>}	118.5910	0.000	1	118.9960	0.466	3	118.5090	1.259	4	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6a]){1|O<2>,2|H<1>,3|C<3>}	119.1985	0.828	2	118.9960	0.466	3	118.5090	1.259	4	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|H<1>,3|C<3>}	117.0480	0.000	1	117.0480	0.000	1	118.5090	1.259	4	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	643	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6a]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6a]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6a]){2|C<3>,2|H<1>,2|N<3>}	119.0850	0.000	1	119.0850	0.000	1	119.0850	0.000	1	118.7368	3.673	68	118.7368	3.673	68	118.7368	3.673	68
914	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:2:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[5a,6]-3:N[6]-2:N[5a]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6])	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a])(N[5a]O[5a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a]H)(N[6]C[5a,6]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[6]C[6,6a])(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	115.3050	0.000	1	118.0250	11.986	5	118.0250	11.986	5
914	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(N[6]C[6,6a]){1|C<4>,4|C<3>}	114.5460	0.000	1	114.5460	0.000	1	117.1907	5.588	3	118.7050	12.898	4	118.0250	11.986	5	118.0250	11.986	5
914	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6]S[6])(N[5a]C[5a,6]H)(N[6]C[6,6a]){1|N<2>,1|S<2>,2|C<3>}	118.5130	0.827	2	118.5130	0.684	2	117.1907	5.588	3	118.7050	12.898	4	118.0250	11.986	5	118.0250	11.986	5
914	643	727	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5a,6]	3:3:	3:3:2:	3:3:2:	C[5a,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6a]-3:C[5a,6]-3:N[6]-2:	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5a,6]){1|Cu<2>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(N[6]C[6,6a]){2|Cu<2>,1|H<1>,4|C<3>}	123.2480	0.000	1	123.2480	0.000	1	123.2480	0.000	1	118.7050	12.898	4	118.0250	11.986	5	118.0250	11.986	5
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:2:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:N[6]-2:N[6a]-2:	C[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6])(N[6a]C[6a]){1|Cl<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,2|C<3>,2|N<2>}	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	121.7890	0.000	1	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[4x6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6])	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	118.8460	0.000	1	118.6280	0.095	2	118.6280	0.095	2	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[4x6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6])	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,5|C<3>}	118.4100	0.000	1	118.6280	0.095	2	118.6280	0.095	2	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|Cl<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	119.0800	0.219	2	119.0800	0.048	2	119.0327	4.006	4	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	116.5400	0.000	1	116.5400	0.000	1	119.0327	4.006	4	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.4310	0.000	1	121.4310	0.000	1	119.0327	4.006	4	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	118.0530	0.000	1	118.0530	0.000	1	119.7240	5.584	2	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	121.3950	0.000	1	121.3950	0.000	1	119.7240	5.584	2	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	125.5800	0.124	2	125.6407	0.019	3	125.6407	0.019	3	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6,6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6]){1|Ge<3>,2|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)(N[6]C[6,6]){2|C<3>,2|H<1>,2|N<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	125.7620	0.000	1	125.6407	0.019	3	125.6407	0.019	3	120.8870	11.219	11	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	120.3430	4.387	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	120.3430	4.387	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	117.0780	0.000	1	117.0780	0.000	1	117.0780	0.000	1	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	117.3890	0.000	1	117.3890	0.000	1	118.8685	4.378	2	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a]){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	120.3480	0.000	1	120.3480	0.000	1	118.8685	4.378	2	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,5|C<3>}	116.3040	0.000	1	116.2943	0.005	3	116.2943	0.005	3	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6,6a]-3:N[6,6]-3:N[6]-2:	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a]){3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6,6]){1|H<1>,2|C<3>,2|N<3>,2|O<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	116.2895	0.095	2	116.2943	0.005	3	116.2943	0.005	3	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	118.1067	6.814	7	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[3x6]-4:N[6]-2:	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]C[3x6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]2)(N[6]C[6,6a]){5|H<1>,7|C<3>}	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	117.5303	1.738	3	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6,6a]){1|O<2>,4|C<3>,5|H<1>}	118.5870	0.000	1	118.5870	0.000	1	117.3200	3.211	2	117.5303	1.738	3	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	3:4:2:	C[6,6]-3:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6,6]-4:N[6]-2:	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a])	N[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6]C[6,6a]){1|C<4>,3|H<1>,4|C<3>}	116.0530	0.000	1	116.0530	0.000	1	117.3200	3.211	2	117.5303	1.738	3	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6])	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	117.7855	0.172	2	117.7855	0.030	2	117.7855	0.030	2	117.6132	0.353	5	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6])	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	118.0700	0.000	1	118.0700	0.000	1	117.4983	0.641	3	117.6132	0.353	5	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	117.8420	0.000	1	117.8420	0.000	1	117.4983	0.641	3	117.6132	0.353	5	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6a]C[6]O[6])(N[6]C[6,6a])(N[6]C[6]C){1|C<4>,4|C<3>,4|H<1>}	116.5830	0.000	1	116.5830	0.000	1	117.4983	0.641	3	117.6132	0.353	5	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:C[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	117.2015	0.778	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-4:N[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]S[6]H)(N[6]C[6,6a]C)(N[6]C[6,6a]){2|H<1>,4|C<3>}	117.8250	0.000	1	117.8250	0.000	1	117.8250	0.000	1	117.2015	0.778	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:4:2:	C[6,6a]-3:C[6,6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:C[6,6]-4:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6])	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6,6]){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	118.0090	0.000	1	118.0090	0.000	1	118.0090	0.000	1	117.5055	0.507	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6,6]	3:3:	3:3:2:	4:4:2:	C[6,6a]-3:C[6,6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6]-4:C[6]-4:N[6]-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6])	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]){1|H<1>,1|N<3>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6]){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]CC)(N[6]C[6,6a]){1|C<4>,4|C<3>}	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	117.5055	0.507	2	119.0597	7.475	34	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:N[6]-2:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6])(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,2|O<1>}	C[6](N[6]C[6,6a])(N[6]C[6])(O){1|C<3>,1|N<2>,1|O<1>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:N[6]-2:N-2:	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	C[6](N[6]C[6,6a])(N[6]C[6,6])(NP){1|N<2>,2|N<3>}	117.4060	0.000	1	117.4060	0.000	1	117.4060	0.000	1	118.6983	0.812	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])2(OCo)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6](N[6]C[6,6a])2(OCo){1|N<2>,2|N<3>}	119.0360	0.000	1	119.0360	0.000	1	119.1290	0.105	3	118.6983	0.812	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])2(OMn)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6](N[6]C[6,6a])2(OMn){1|N<2>,2|N<3>}	119.4890	0.000	1	119.4890	0.000	1	119.1290	0.105	3	118.6983	0.812	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])2(ONi)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){1|N<3>,1|O<1>,1|O<2>,3|N<2>}	C[6](N[6]C[6,6a])2(ONi){1|N<2>,2|N<3>}	118.8620	0.000	1	118.8620	0.000	1	119.1290	0.105	3	118.6983	0.812	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a])(N[6]C[6]){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<2>}	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	116.4300	0.000	1	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a,6a]-3:N[6a]-2:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]){2|H<1>,2|N<2>,2|N<3>}	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H){1|C<3>,2|N<2>}	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	115.9800	0.000	1	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-2:N[6]-2:	C[6a]-3:N[6]-2:C[6]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	117.9120	0.000	1	117.9120	0.000	1	117.9120	0.000	1	117.7980	0.026	2	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6]-3:	N[6,6,6a]-3:N[6a]-2:N[6]-2:	N[6]-3:N[6]-2:N-2:	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6])	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	C[6,6a](N[6,6,6a]C[6,6a]C[6,6])(N[6a]C[6a])(N[6]C[6]){1|N<3>,5|N<2>}	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	117.6840	0.000	1	117.6840	0.000	1	117.6840	0.000	1	117.7980	0.026	2	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]S[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	C[6](N[6]C[6,6a])(N[6]S[6])(H){2|C<3>,2|O<1>}	124.0780	0.000	1	124.0780	0.000	1	124.0780	0.000	1	124.0780	0.000	1	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:O[6]-2:N-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6])(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N){1|C<4>,1|F<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	C[6](N[6]C[6,6a])(O[6]C[6])(NC){2|C<3>,2|H<1>}	123.1530	0.000	1	123.1530	0.000	1	123.1530	0.000	1	118.9860	8.202	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])2(OCo)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	C[6](N[6]C[6,6a])2(OCo){1|N<2>,2|N<3>}	117.5100	0.000	1	117.5100	0.000	1	117.5970	0.727	3	118.9860	8.202	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])2(OMn)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	C[6](N[6]C[6,6a])2(OMn){1|N<2>,2|N<3>}	116.7910	0.000	1	116.7910	0.000	1	117.5970	0.727	3	118.9860	8.202	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:2:	C[6,6a]-3:C[6]-3:	N[6,6a,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:N[6]-2:O-2:	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O)	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])2(ONi)	N[6](C[6,6a]N[6,6a,6a]N[6a])(C[6]N[6]O){1|H<1>,3|C<3>}	C[6,6a](N[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,4|N<2>}	C[6](N[6]C[6,6a])2(ONi){1|N<2>,2|N<3>}	118.4900	0.000	1	118.4900	0.000	1	117.5970	0.727	3	118.9860	8.202	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]N[6])(NHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a])(N[6]N[6])(NHH){1|O<1>,2|C<3>}	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	119.8354	8.277	5	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:S[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6])	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|C<4>,1|F<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(N[6]C[6]){1|C<3>,1|N<3>,1|S<2>,4|H<1>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){2|C<3>,2|H<1>}	120.5745	0.979	2	120.5745	0.959	2	121.0805	0.701	4	119.8354	8.277	5	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:S[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(S[6]C[6])(NCC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCC){1|N<2>,2|C<3>}	121.8310	0.000	1	121.8310	0.000	1	121.0805	0.701	4	119.8354	8.277	5	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:S[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(S[6]C[6])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]N){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(S[6]C[6])(NCH){3|C<3>}	121.3420	0.000	1	121.3420	0.000	1	121.0805	0.701	4	119.8354	8.277	5	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[5a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]N[6])(CF3)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]N[6]C){1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6](N[6]C[6,6a])(N[6]N[6])(CF3){3|C<3>}	114.7770	0.000	1	114.7770	0.000	1	114.7770	0.000	1	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]N[6])(CC3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]N[6])(CC3){3|C<3>}	115.7620	0.000	1	115.9753	0.091	3	116.1791	12.089	8	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]N[6])(CC3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]N[6])(CC3){3|C<3>}	116.0820	0.338	2	115.9753	0.091	3	116.1791	12.089	8	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]N[6])(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]N[6])(CF3){3|C<3>}	114.2735	0.815	4	114.2735	0.664	4	116.1791	12.089	8	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	C[6](N[6]C[6,6a])(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	124.4130	0.000	1	124.4130	0.000	1	116.1791	12.089	8	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](N[6]C[6,6a])(O[6]C[6,6])(CH3){1|O<2>,3|C<3>}	116.3860	0.000	1	116.3860	0.000	1	116.4447	0.271	3	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a])(O[6]C[6])(CBrCC){1|C<4>,3|C<3>}	115.9560	0.000	1	115.9560	0.000	1	116.4447	0.271	3	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:O[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(O[6]C[6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]C){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6a])(O[6]C[6])(CH3){1|C<4>,3|C<3>}	116.9920	0.000	1	116.9920	0.000	1	116.4447	0.271	3	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:S[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(S[6]C[6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]C){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a])(S[6]C[6])(CH3){3|C<3>}	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:2:4:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:C[6]-2:C-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6])(CH3)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6])(CH3){1|H<1>,2|C<3>}	118.4620	0.049	2	118.4620	0.002	2	118.4620	0.002	2	116.8171	8.794	15	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(H){2|C<3>}	118.0520	0.000	1	118.0520	0.000	1	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){1|Os<5>,1|C<4>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Os<5>,2|C<3>}	116.5980	0.000	1	117.8948	0.755	4	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){3|C<3>}	118.3270	0.109	3	117.8948	0.755	4	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<6>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	116.2700	0.154	2	116.8908	1.270	6	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	116.4920	0.000	1	116.8908	1.270	6	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	115.7580	0.000	1	116.8908	1.270	6	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>}	118.2775	0.518	2	116.8908	1.270	6	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	116.0720	0.505	2	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|O<1>,2|C<3>}	117.0860	0.000	1	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Os<4>,2|C<3>}	115.1040	0.000	1	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Os<6>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Os<6>,2|C<3>}	113.2080	0.000	1	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,4|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|H<1>,2|C<3>}	117.3100	0.000	1	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){3|C<3>}	117.5890	0.000	1	116.0630	2.376	7	116.8565	1.943	18	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(O){1|H<1>,2|C<3>}	122.2200	0.000	1	122.2200	0.000	1	122.2200	0.000	1	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.4070	0.000	1	117.4070	0.000	1	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Ir)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Ir)(H){3|C<3>}	116.4428	0.864	18	116.6138	1.135	20	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Ir)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ir<7>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Ir)(H){3|C<3>}	118.1520	1.904	2	116.6138	1.135	20	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]O)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(H){3|C<3>}	118.4330	0.000	1	118.4330	0.000	1	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Pt)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Pt)(H){3|C<3>}	116.1290	0.000	1	116.1290	0.000	1	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Ru)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|Ru<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Ru)(H){1|Ru<5>,2|C<3>}	116.6170	0.054	2	116.6170	0.003	2	116.6991	1.065	25	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|N<3>,3|O<1>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<1>}	115.3920	0.000	1	115.3920	0.000	1	115.6470	0.130	2	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	115.9020	0.000	1	115.9020	0.000	1	115.6470	0.130	2	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ir<6>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	116.3465	0.851	2	116.3030	0.367	3	116.2180	0.274	4	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]){1|Ru<6>,2|H<1>,5|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	116.2160	0.000	1	116.3030	0.367	3	116.2180	0.274	4	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])(N[6]C[6]){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	115.9630	0.000	1	115.9630	0.000	1	116.2180	0.274	4	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H)(H)	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(H){1|C<3>,1|N<3>}	117.2600	0.000	1	117.2600	0.000	1	117.2600	0.000	1	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:1:	C[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:H-1:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	116.0030	0.000	1	116.0030	0.000	1	116.0030	0.000	1	116.7797	1.844	52	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<5>,1|H<1>,2|C<3>,2|O<2>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(OC){1|Ru<5>,2|C<3>}	116.2030	0.000	1	116.2030	0.000	1	118.3477	10.096	3	117.4230	10.151	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(OH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Zn<6>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(OH){1|Zn<6>,2|C<3>}	116.8420	0.000	1	116.8420	0.000	1	118.3477	10.096	3	117.4230	10.151	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]S[6]C)(OC){2|C<3>}	121.9980	0.000	1	121.9980	0.000	1	118.3477	10.096	3	117.4230	10.151	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:N[6]-3:S-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|H<1>,1|S<2>,2|N<3>,2|O<1>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC){1|H<1>,1|N<3>,2|C<3>}	114.6490	0.000	1	114.6490	0.000	1	114.6490	0.000	1	117.4230	10.151	4	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO){1|Pt<4>,2|C<3>}	117.0580	0.000	1	117.3710	0.196	2	117.3710	0.196	2	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	117.6840	0.000	1	117.3710	0.196	2	117.3710	0.196	2	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NC[6]H){1|H<1>,2|C<3>}	117.9770	0.000	1	117.9770	0.000	1	117.9410	0.096	3	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]S)(NHN){1|H<1>,2|C<3>}	118.2320	0.000	1	118.2320	0.000	1	117.9410	0.096	3	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H){2|C<3>}	117.6140	0.000	1	117.6140	0.000	1	117.9410	0.096	3	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Co)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Co)(C[6]N[6]2){1|N<2>,4|C<3>}	116.2395	0.169	2	116.2395	0.029	2	116.1379	0.061	8	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Fe)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Fe<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Fe)(C[6]N[6]2){1|N<2>,4|C<3>}	116.1600	0.272	2	116.1600	0.074	2	116.1379	0.061	8	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Ni)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Ni<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Ni)(C[6]N[6]2){1|N<2>,4|C<3>}	116.0760	0.308	4	116.0760	0.095	4	116.1379	0.061	8	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	118.7795	0.004	2	118.7795	0.000	2	118.7795	0.000	2	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:N[6]-3:N-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){2|O<1>,4|N<3>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	116.7360	0.000	1	116.7360	0.000	1	116.7360	0.000	1	116.9977	1.073	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|F<1>,1|N<2>,1|O<1>,2|C<4>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	122.0780	0.000	1	122.0780	0.000	1	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	116.9960	0.000	1	117.0692	3.065	5	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	116.3300	0.000	1	117.0692	3.065	5	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|O<1>,2|C<3>}	116.0770	1.385	2	117.0692	3.065	5	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CBrHH){1|H<1>,2|C<3>}	119.8660	0.000	1	117.0692	3.065	5	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|H<1>,2|C<3>}	118.9395	0.425	2	118.9395	0.181	2	118.1629	4.994	8	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF){3|C<3>}	116.2420	0.000	1	116.2420	0.000	1	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	116.8920	0.000	1	116.8920	0.000	1	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	116.4310	0.000	1	116.4310	0.000	1	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH){3|C<3>}	119.0200	0.000	1	119.0200	0.000	1	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH){3|C<3>}	117.9930	0.000	1	117.9157	0.005	3	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:N[6]-3:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a])(N[6]C[6]Pd)(CCCH){3|C<3>}	117.8770	0.034	2	117.9157	0.005	3	117.4760	0.988	7	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:3:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-2:C[6]-3:C-4:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C){1|C<4>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6a]C[6a]C)(N[6]C[6]){1|Re<6>,1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6](N[6]C[6,6a])(C[6]N[6]C)(CH3){1|Re<6>,1|C<3>,1|N<3>}	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	117.8679	2.854	16	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]CC)(O){2|C<3>,2|H<1>}	124.0360	0.000	1	124.0360	0.000	1	123.9040	0.044	3	123.9040	0.044	3	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	123.8380	0.247	2	123.8380	0.061	2	123.9040	0.044	3	123.9040	0.044	3	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	2:4:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-2:C[6]-4:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6a])(C[6]C[6]HH)(OC){2|C<3>,2|C<4>}	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	116.4470	0.000	1	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5])(N[6]C[6,6a])(H){1|S<4>,2|C<3>,2|C<4>}	118.5990	0.000	1	118.5990	0.000	1	118.5990	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	116.8025	0.257	2	116.8025	0.066	2	116.8025	0.066	2	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	116.7455	0.047	2	116.6820	0.013	3	116.6820	0.013	3	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	116.5550	0.000	1	116.6820	0.013	3	116.6820	0.013	3	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6,6a]N[6,6a]C[6a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	124.3270	0.000	1	124.3270	0.000	1	124.3270	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Pt<4>,1|N<3>,3|C<3>}	116.4260	0.000	1	116.4260	0.000	1	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(N[6]C[6,6a])(H){1|O<1>,2|C<3>,2|N<3>}	115.3720	0.054	2	115.3720	0.003	2	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Co<5>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Co<5>,1|N<3>,3|C<3>}	116.7460	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Cu<4>,1|N<3>,3|C<3>}	116.2170	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Cu<4>,1|N<3>,3|C<3>}	117.0750	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<5>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Cu<5>,1|N<3>,3|C<3>}	117.4540	0.471	2	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Ir<6>,1|N<3>,3|C<3>}	115.9320	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ni<5>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Ni<5>,1|N<3>,3|C<3>}	116.5780	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Pt<4>,1|N<3>,3|C<3>}	114.8810	0.000	1	116.5421	0.778	8	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]N[5]N[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|C<3>,3|H<1>}	C[6](C[6]N[5]N[6])(N[6]C[6,6a])(H){1|Re<6>,4|C<3>}	117.2026	0.214	5	117.2026	0.046	5	116.5950	0.702	16	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:Cl-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	116.7530	0.000	1	116.7530	0.000	1	116.7530	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H){1|C<4>,3|C<3>}	114.8140	0.000	1	114.8140	0.000	1	116.3366	0.861	5	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<3>,5|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){2|H<1>,4|C<3>}	116.7172	0.427	4	116.7172	0.182	4	116.3366	0.861	5	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	N[6]-3:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H){2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){1|H<1>,1|N<3>,4|C<3>}	114.1840	0.000	1	114.1840	0.000	1	114.1840	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6]-3:	N[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a])(H){1|N<3>,4|C<3>}	115.9830	0.000	1	115.9830	0.000	1	115.9830	0.000	1	116.8089	2.605	33	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6,6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6,6]){2|H<1>,5|C<3>}	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	114.9970	0.000	1	114.9970	0.000	1	114.9970	0.000	1	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	116.5872	0.146	4	116.5872	0.021	4	116.1014	3.873	25	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	116.9090	0.000	1	116.9090	0.000	1	116.1014	3.873	25	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	115.5114	0.510	17	115.5114	0.260	17	116.1014	3.873	25	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(N[6]N[6]){1|H<1>,5|C<3>}	115.2735	0.146	2	115.2735	0.021	2	116.1014	3.873	25	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<2>,2|H<1>,3|C<3>}	125.0360	0.000	1	125.0360	0.000	1	116.1014	3.873	25	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	117.5760	0.322	2	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,3|H<1>,4|C<3>}	117.5730	0.000	1	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	117.3210	0.000	1	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	117.6970	0.648	2	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){3|H<1>,5|C<3>}	116.7480	0.419	2	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	117.6670	0.000	1	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(O[6]C[6]){2|H<1>,5|C<3>}	117.0850	0.485	10	117.2344	0.249	19	117.2344	0.249	19	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:C-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN){1|N<2>,4|C<3>}	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]){1|C<4>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6a]C[5,6a]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]S[6]){1|N<3>,2|H<1>,3|C<3>}	120.9100	0.000	2	120.9100	0.000	2	120.9100	0.000	2	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:N[6,6a]-3:N[6]-2:	C[6,6a]-3:N[6]-2:N-2:	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO)	N[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6,6a]N){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(NO){1|H<1>,1|N<3>,3|C<3>}	120.5400	0.212	3	120.5400	0.045	3	120.5400	0.045	3	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:2:	C[6,6a]-3:C[6]-3:	C[6a]-3:C[6,6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6]){1|H<1>,2|N<2>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]N[6]){2|H<1>,5|C<3>}	117.0430	0.023	2	117.0430	0.001	2	117.0430	0.001	2	116.9085	3.609	55	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a])(N[6]C[6]Ir)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|Ir<6>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a])(N[6]C[6]Ir){1|H<1>,4|C<3>}	118.3110	1.363	2	118.3110	1.859	2	118.3110	1.859	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	117.5922	0.150	4	117.4630	0.100	5	117.4630	0.100	5	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	116.9460	0.000	1	117.4630	0.100	5	117.4630	0.100	5	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Zn)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Zn){1|H<1>,5|C<3>}	117.2520	0.000	1	117.2520	0.000	1	115.0635	9.579	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Co)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Co){1|H<1>,5|C<3>}	112.8750	0.000	1	112.8750	0.000	1	115.0635	9.579	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	120.6380	0.000	1	120.6380	0.000	1	119.5898	6.979	6	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]C){3|H<1>,4|C<3>}	118.5007	0.473	3	118.5007	0.223	3	119.5898	6.979	6	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Pt<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]N[6]H){1|Pt<4>,1|H<1>,4|C<3>}	117.0030	0.000	1	117.0030	0.000	1	119.5898	6.979	6	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]S[6]N){2|H<1>,4|C<3>}	124.3960	0.000	1	124.3960	0.000	1	119.5898	6.979	6	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){2|H<1>,6|C<3>}	116.7375	0.043	2	116.7687	0.004	3	116.2933	0.367	8	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){3|H<1>,5|C<3>}	116.8310	0.000	1	116.7687	0.004	3	116.2933	0.367	8	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|Er<14>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|Er<14>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]Er){1|H<1>,1|N<3>,1|N<4>,4|C<3>}	115.7880	0.000	2	115.7880	0.000	2	116.2933	0.367	8	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	116.8490	0.000	1	116.1547	0.659	3	116.2933	0.367	8	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){4|C<3>,4|H<1>}	115.8075	0.771	2	116.1547	0.659	3	116.2933	0.367	8	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O){6|C<3>}	116.9490	0.000	1	116.9490	0.000	1	116.9490	0.000	1	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	118.3730	0.467	2	118.3730	0.218	2	118.3730	0.218	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	119.0140	0.000	1	119.0140	0.000	1	118.7470	0.143	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	118.4800	0.000	1	118.4800	0.000	1	118.7470	0.143	2	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:N-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	118.5210	0.000	1	118.5210	0.000	1	118.5210	0.000	1	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:N[5]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2){1|N<2>,2|C<4>,4|C<3>,4|H<1>}	116.9740	0.000	1	116.9740	0.000	1	116.9740	0.000	1	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:N[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]C){1|N<3>,3|H<1>,4|C<3>}	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	117.6833	3.774	32	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	118.3900	0.472	2	118.3900	0.223	2	118.3900	0.223	2	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3){1|Ir<6>,4|C<3>}	118.0690	0.000	1	118.0690	0.000	1	118.1181	0.535	10	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CF3){1|O<1>,4|C<3>}	116.4300	0.000	1	116.4300	0.000	1	118.1181	0.535	10	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a])(CH3){1|Ir<6>,4|C<3>}	118.3353	0.476	8	118.3353	0.226	8	118.1181	0.535	10	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:N[6]-2:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]HO){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	117.7420	0.281	4	117.7420	0.079	4	117.7420	0.079	4	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:N[6]-2:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]O[6]HH){2|H<1>,4|C<3>}	117.1530	0.000	1	117.1530	0.000	1	117.1530	0.000	1	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3){1|H<1>,1|N<3>,4|C<3>}	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6,6]-3:N[6]-2:C[3]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3])	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3]){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H){1|N<3>,4|C<3>,5|H<1>}	118.5290	0.000	1	118.5290	0.000	1	118.5290	0.000	1	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3){5|C<3>}	115.5260	0.000	1	115.5260	0.000	1	117.3986	1.117	5	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3){1|N<2>,4|C<3>}	117.7285	0.080	2	117.7285	0.006	2	117.3986	1.117	5	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:2:4:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:N[6]-2:C-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3){1|S<1>,4|C<3>}	118.0050	0.000	2	118.0050	0.000	2	117.3986	1.117	5	117.8982	0.566	24	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[5a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a])	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5a]-3:C[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	119.7005	0.240	2	119.7005	0.057	2	119.7005	0.057	2	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a])	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|B<4>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|B<4>,3|H<1>,5|C<3>}	118.5980	0.813	2	118.5980	0.661	2	118.5980	0.661	2	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6]N[6])2(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6,6a]){2|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	117.6965	0.151	2	117.6965	0.023	2	117.6965	0.023	2	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|Ir<6>,2|H<1>,6|C<3>}	118.3645	0.504	2	118.2071	0.331	9	118.2071	0.331	9	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|Ir<6>,2|H<1>,6|C<3>}	118.0025	0.502	6	118.2071	0.331	9	118.2071	0.331	9	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	119.1200	0.000	1	118.2071	0.331	9	118.2071	0.331	9	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Re<6>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	120.5450	0.000	1	119.2445	3.383	2	119.2445	3.383	2	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Ru<9>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Ru<9>,1|H<1>,1|N<3>,5|C<3>}	117.9440	0.000	1	119.2445	3.383	2	119.2445	3.383	2	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	117.7910	0.000	1	117.7910	0.000	1	118.3543	0.301	3	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[5,6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a])	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(N[6]C[6,6a]){2|O<1>,3|H<1>,6|C<3>}	118.6360	0.354	2	118.6360	0.125	2	118.3543	0.301	3	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<2>,3|H<1>,6|C<3>}	117.3605	0.332	2	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|C<4>,3|H<1>,6|C<3>}	116.8955	0.152	2	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|P<4>,3|H<1>,6|C<3>}	117.5700	0.000	1	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,7|C<3>}	117.6720	0.000	1	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,3|H<1>,6|C<3>}	117.4160	0.016	2	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<2>,2|H<1>,6|C<3>}	118.1983	0.540	3	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	117.9145	0.146	2	117.6162	0.266	13	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	117.8350	0.000	1	118.0540	0.096	2	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	3:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6]){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	118.2730	0.000	1	118.0540	0.096	2	117.6745	0.258	15	118.1646	0.689	36	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	115.8420	0.061	2	115.8420	0.004	2	115.8420	0.004	2	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(H){6|C<3>}	117.4910	0.317	2	117.4910	0.100	2	117.7770	0.296	3	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]N[6]CuN)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|Cu<6>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cu<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6]CuN)(N[6]C[6,6a])(H){2|C<3>}	118.3490	0.000	1	118.3490	0.000	1	117.7770	0.296	3	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	117.1760	0.000	1	117.1760	0.000	1	117.0991	0.192	7	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	117.3110	0.000	1	117.0863	0.229	6	117.0991	0.192	7	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(H){3|C<4>,4|C<3>}	117.0414	0.521	5	117.0863	0.229	6	117.0991	0.192	7	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:1:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6]-4:N[6]-2:H-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[6]C[6]O[6]N)(N[6]C[6,6a])(H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]O[6]N)(N[6]C[6,6a])(H){1|H<1>,2|C<3>,2|C<4>}	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	117.0275	0.535	13	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5]-4:N[6]-2:S[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]S[6]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|S<1>,1|S<2>,2|H<1>}	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(S[6]C[6]){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	121.9440	0.000	1	121.9440	0.000	1	121.9440	0.000	1	117.7054	3.947	9	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:S-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6a]2C[6])(N[6]C[6,6a])(SC[6a]){1|O<1>,6|C<3>}	118.7740	0.000	1	118.7740	0.000	1	118.6103	0.024	3	117.7054	3.947	9	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:S-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,2|S<2>,3|H<1>}	C[6](C[6]C[6a]C[6]C)(N[6]C[6,6a])(SC){1|H<1>,1|S<2>,4|C<3>}	118.5285	0.091	2	118.5285	0.008	2	118.6103	0.024	3	117.7054	3.947	9	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:2:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:O-2:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(OC){3|C<4>,4|C<3>}	116.3148	0.599	5	116.3148	0.359	5	116.3148	0.359	5	117.7054	3.947	9	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6])	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C){1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]O[5]O)(N[6]C[6,6a])(CNO){1|C<4>,4|C<3>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	118.0937	6.027	6	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[5]-4:N[6]-2:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H){1|S<1>,2|C<3>,2|C<4>,2|H<1>}	117.2970	0.000	1	117.2970	0.000	1	117.2970	0.000	1	118.0937	6.027	6	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	116.4420	0.000	1	116.4420	0.000	1	119.3195	16.560	2	118.0937	6.027	6	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:N[6]-2:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(CCH){4|C<3>}	122.1970	0.000	1	122.1970	0.000	1	119.3195	16.560	2	118.0937	6.027	6	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:3:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6]-4:N[6]-2:C-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a])(COO){4|C<3>}	116.3170	0.126	2	116.3170	0.016	2	116.3170	0.016	2	118.0937	6.027	6	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:4:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|C<4>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]N[5]O[6])(N[6]C[6,6a])(CH3){3|C<4>,4|C<3>}	118.6000	0.000	1	118.6000	0.000	1	118.1943	0.124	3	118.1943	0.124	3	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:4:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6])	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(N[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	118.0020	0.000	1	118.0020	0.000	1	118.1943	0.124	3	118.1943	0.124	3	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:2:4:	C[6,6a]-3:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[5,6]-4:N[6]-2:C-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6])	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]C){1|N<3>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]N[5]O[6]S[5])(N[6]C[6,6a])(CH3){1|C<4>,4|C<3>}	117.9810	0.000	1	117.9810	0.000	1	118.1943	0.124	3	118.1943	0.124	3	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6])	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,9|C<3>}	119.7310	0.000	1	119.7310	0.000	1	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|C<4>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]C)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,8|C<3>}	119.3220	0.000	1	119.3220	0.000	1	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){1|O<2>,2|H<1>,6|C<3>}	120.1135	0.073	2	118.9580	1.944	4	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,6|C<3>}	117.3100	0.000	1	118.9580	1.944	4	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378
914	643	762	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[6]	3:3:	3:3:2:	4:3:2:	C[6,6a]-3:C[6]-3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6a]-3:N[6]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,7|C<3>}	118.2950	0.000	1	118.9580	1.944	4	119.2650	1.154	7	119.2650	1.154	7	117.4706	3.556	344	117.6135	4.097	378