762	856	874	0:SP2_SP2_SP3	C[6]	N[6]	B[6,6]	4:3:3:	4:3:4:	4:4:3:1:	B[6,6]-4:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	N[6](C[5,6]C[5,6]C[5]C)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	127.3280	0.000	1	127.3280	0.000	1	122.1985	52.624	2	122.1985	52.624	2	122.1985	52.624	2	122.1985	52.624	2
762	856	874	0:SP2_SP2_SP3	C[6]	N[6]	B[6,6]	4:3:3:	4:3:4:	4:4:3:1:	B[6,6]-4:N[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6]-3:H-1:	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH)	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H)	C[6](B[6,6]C[6,6]2H)(N[6]C[5,6]C)2{3|H<1>,8|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]B[6,6]N[6])(CCHH){3|H<1>,7|C<4>}	B[6,6](C[6,6]C[6]2H)2(C[6]N[6]2)(H){6|C<4>,8|H<1>}	117.0690	0.000	1	117.0690	0.000	1	122.1985	52.624	2	122.1985	52.624	2	122.1985	52.624	2	122.1985	52.624	2
762	856	880	0:SP2_SP2_SP3	C[6]	N[6]	Si	3:3:4:	3:3:1:	3:4:4:2:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	N[6](C[6]C[6]Si)2(H)	Si(C[6]C[6]N[6])(CH3)2(OSi)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Si)2(H){1|C<3>,2|H<1>}	Si(C[6]C[6]N[6])(CH3)2(OSi)	120.6590	0.552	2	120.6590	0.304	2	120.6590	0.304	2	120.6590	0.304	2	120.3880	0.372	3	120.3880	0.372	3
762	856	880	0:SP2_SP2_SP3	C[6]	N[6]	Si	3:3:4:	3:3:1:	3:4:4:4:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3)	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H)	Si(C[6]C[6]N[6])(CH3)3	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]Si)(H){1|C<3>,2|H<1>}	Si(C[6]C[6]N[6])(CH3)3	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	120.3880	0.372	3	120.3880	0.372	3
762	856	892	0:SP2_SP2_SP3	C[6]	N[6]	N	3:3:4:	3:3:1:	3:1:1:1:	C[6]-3:N[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)3	122.3085	2.767	2	122.3085	7.656	2	122.3085	7.656	2	121.4588	13.785	4	121.4588	13.785	4	121.4588	13.785	4
762	856	892	0:SP2_SP2_SP3	C[6]	N[6]	N	3:3:4:	3:3:1:	3:1:1:1:	N[6]-3:N[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:H-1:	C[6](N[6]C[6]H)2(NH3)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)3	C[6](N[6]C[6]H)2(NH3){1|C<3>,2|N<4>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]N[6]2)(H)3	120.6090	5.551	2	120.6090	30.811	2	120.6090	30.811	2	121.4588	13.785	4	121.4588	13.785	4	121.4588	13.785	4
762	856	893	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:2:2:	4:3:3:	3:4:	N[6,6]-3:N[6]-2:O-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	O(C[6]N[6,6]N[6])(CH3)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	O(C[6]N[6,6]N[6])(CH3)	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	113.6090	0.000	1	115.7154	3.447	5	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:2:	3:4:3:	3:1:	N[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,3|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])(H)	115.2770	0.362	2	115.2770	0.131	2	115.2770	0.131	2	115.2770	0.131	2	115.7154	3.447	5	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:3:2:	4:4:3:	3:3:	N[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a])	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(OC[6a]){3|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	O(C[6]N[6,6]C[6])(C[6a]C[6a]2)	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.7154	3.447	5	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6,6]	O	3:4:2:	4:4:3:	3:1:	N[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O)	O(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|N<4>,3|C<4>,4|H<1>}	N[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,7|H<1>}	O(C[6]N[6,6]C[6])(H)	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	118.6880	0.000	1	115.7154	3.447	5	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)(CCCH)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	O(C[6]N[6]2)(CCCH)	112.6430	0.000	1	112.6430	0.000	1	112.1885	0.413	2	113.4002	2.193	5	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	O(C[6]N[6]2)(CC[6a]HH)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	O(C[6]N[6]2)(CC[6a]HH)	111.7340	0.000	1	111.7340	0.000	1	112.1885	0.413	2	113.4002	2.193	5	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C-4:	C[6](N[6]C[6]F)(N[6]C[6])(OC)	N[6](C[6]N[6]O)2(F)	O(C[6]N[6]2)(CH3)	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	N[6](C[6]N[6]O)2(F){1|C<3>}	O(C[6]N[6]2)(CH3)	114.9670	0.100	2	114.9670	0.010	2	114.9670	0.010	2	113.4002	2.193	5	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H)	O(C[6]N[6]2)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H){2|C<3>}	O(C[6]N[6]2)(CH3)	112.6900	0.000	1	112.6900	0.000	1	112.6900	0.000	1	113.4002	2.193	5	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:3:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	O(C[6]N[6]2)(CH3)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	O(C[6]N[6]2)(CH3)	111.7265	0.142	2	111.7265	0.020	2	111.7265	0.020	2	111.7265	0.020	2	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:4:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(OC)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	O(C[6]N[6]2)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|O<2>,1|S<1>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	O(C[6]N[6]2)(CH3)	114.2040	0.000	1	113.5277	0.345	3	113.5277	0.345	3	113.5277	0.345	3	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	3:3:4:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(OC)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	O(C[6]N[6]2)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|S<1>,1|S<2>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	O(C[6]N[6]2)(CH3)	113.1895	0.059	2	113.5277	0.345	3	113.5277	0.345	3	113.5277	0.345	3	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:2:2:	4:3:1:	3:4:	N[6]-3:N[6]-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	O(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>}	O(C[6]N[6]2)(CCHH)	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6,6a]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	O(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	O(C[6]C[6,6a]N[6])(H)	124.9460	0.000	1	124.9460	0.000	1	124.9460	0.000	1	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])(H)	117.5860	0.000	1	117.5860	0.000	1	116.0364	6.700	12	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(H)	119.9640	0.000	1	119.9640	0.000	1	116.0364	6.700	12	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(H)	114.3720	0.000	1	114.3720	0.000	1	116.0364	6.700	12	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(H)	114.0563	0.527	3	115.6128	6.436	9	116.0364	6.700	12	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(H)	116.3910	2.829	6	115.6128	6.436	9	116.0364	6.700	12	116.7218	12.248	13	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	N[6](C[6]C[6]H)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[6]N[6])(CH3)	113.3820	0.000	1	113.3820	0.000	1	112.0839	0.273	24	112.0839	0.273	24	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Ir)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(CH3)	111.4160	0.000	1	111.4160	0.000	1	112.0839	0.273	24	112.0839	0.273	24	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6])(CH3)	112.0350	0.443	21	112.0350	0.197	21	112.0839	0.273	24	112.0839	0.273	24	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	O(C[6]C[6]N[6])(CH3)	112.4810	0.000	1	112.4810	0.000	1	112.0839	0.273	24	112.0839	0.273	24	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:3:	3:4:	C[6]-3:N[6]-3:O-2:	I-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	N[6](IC[6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(CH3)	112.0555	0.060	2	112.0555	0.004	2	112.0555	0.004	2	112.0555	0.004	2	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(OH)	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(OH){1|N<3>,1|O<1>,1|S<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CCHH){1|C<4>,2|C<3>}	O(C[6]C[6]N[6])(H)	113.7430	0.000	1	113.7430	0.000	1	114.4130	0.898	2	114.4130	0.898	2	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH)	O(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CSiHH){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(H)	115.0830	0.000	1	115.0830	0.000	1	114.4130	0.898	2	114.4130	0.898	2	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(OC)	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(OC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	O(C[6]C[6]N[6])(CH3)	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4656	6.979	54	113.6563	7.014	59
762	856	893	0:SP2_SP2_SP2	C[6]	N[6]	O	3:3:2:	4:3:4:	3:4:	C[6]-3:N[6]-3:O-2:	C[6]-4:C[6]-3:S-4:	C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	O(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(OC){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	O(C[6]C[6]N[6])(CH3)	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	111.0030	0.000	1	113.4656	6.979	54	113.6563	7.014	59
762	856	899	0:SP2_SP-NON_SP2	C[6]	N[6]	C	3:2:1:	3:2:1:	3:	N[6]-3:N[6]-2:C-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(C)	N[6](C[6]N[6]C)(C[6]C[6])(H)	C(C[6]N[6]2)	C[6](N[6]C[6]H)(N[6]C[6])(C){1|C<4>}	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C(C[6]N[6]2)	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.5250	0.000	1	118.5553	0.047	3	118.5553	0.047	3
762	856	899	0:SP2_SP-NON_SP2	C[6]	N[6]	C	4:3:1:	3:2:1:	3:	C[6]-4:N[6]-3:C-1:	C[6]-3:C[6]-2:C-1:	C[6]-3:	C[6](C[6]C[6]OU)(N[6]C[6]C)(C)	N[6](C[6]C[6]C)(C[6]C[6])(C)	C(C[6]C[6]N[6])	C[6](C[6]C[6]OU)(N[6]C[6]C)(C){1|C<2>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6])(C){1|U<12>,1|C<4>,1|O<2>}	C(C[6]C[6]N[6])	118.5705	0.305	2	118.5705	0.093	2	118.5705	0.093	2	118.5705	0.093	2	118.5553	0.047	3	118.5553	0.047	3
762	856	901	0:SP2_SP1_SP2	C[6]	N[6]	N	3:3:1:	3:3:1:	3:	C[5a,6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N(C[6]C[5a,6]N[6])	121.5380	0.000	1	121.5380	0.000	1	121.5380	0.000	1	120.0998	3.251	4	119.6784	3.326	5	119.6784	3.326	5
762	856	901	0:SP2_SP1_SP2	C[6]	N[6]	N	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	N(C[6]C[6]N[6])	120.7000	0.000	2	120.7000	0.000	2	119.6203	3.497	3	120.0998	3.251	4	119.6784	3.326	5	119.6784	3.326	5
762	856	901	0:SP2_SP1_SP2	C[6]	N[6]	N	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|Cl<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]C[6]N[6])	117.4610	0.000	1	117.4610	0.000	1	119.6203	3.497	3	120.0998	3.251	4	119.6784	3.326	5	119.6784	3.326	5
762	856	901	0:SP2_SP1_SP2	C[6]	N[6]	N	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:N-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]C)(N)	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3)	N(C[6]C[6]N[6])	C[6](C[6]C[6]N)(N[6]C[6]C)(N){1|N<3>,1|O<1>,1|O<2>}	N[6](C[6]C[6]N)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	N(C[6]C[6]N[6])	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	119.6784	3.326	5	119.6784	3.326	5
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	2:3:2:	4:3:1:	3:4:	N[6]-2:N[6]-3:S-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CC[6a]HH)	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	S(C[6]N[6]2)(CC[6a]HH)	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	114.5200	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	2:3:3:	3:3:1:	5:3:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	B[3x3,3x5,12x6]-5:C[6]-3:	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]N[6])	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]N[6])	115.6820	0.000	1	115.6820	0.000	1	115.6820	0.000	1	115.5567	0.559	3	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	2:3:3:	3:3:1:	5:3:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-5:C[6]-3:	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	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>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]N[6])	115.4940	1.047	2	115.4940	1.095	2	115.4940	1.095	2	115.5567	0.559	3	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	S(C[6]N[6]2)(CCCH)	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	S(C[6]N[6]2)(CCCH)	112.9170	0.000	1	112.9170	0.000	1	112.9170	0.000	1	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	S(C[6]N[6]2)(CCHH)	115.5150	0.000	1	113.3265	9.579	2	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	S(C[6]N[6]2)(CCHH)	111.1380	0.000	1	113.3265	9.579	2	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	S(C[6]N[6]2)(CCHH)	111.1662	0.639	4	111.1662	0.408	4	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,2|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	S(C[6]N[6]2)(CH3)	116.7340	0.000	1	116.7340	0.000	1	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	S(C[6]N[6]2)(CH3)	114.1780	0.095	2	114.1780	0.009	2	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(H)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]N[6]S)2(H){1|C<4>,1|H<1>}	S(C[6]N[6]2)(CH3)	111.5150	0.000	1	111.5150	0.000	1	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6]H)(N[6]N[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]H)(N[6]N[6])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	S(C[6]N[6]2)(CH3)	113.6530	0.000	1	113.6530	0.000	1	112.8705	4.364	11	112.8744	3.968	12	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:4:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	S(C[6]N[6]2)(CC[6a]HH)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	S(C[6]N[6]2)(CC[6a]HH)	113.9250	0.236	2	113.9250	0.056	2	115.7747	2.184	6	115.7747	2.184	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:4:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(CH3)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<2>,1|S<1>,1|S<2>}	N[6](C[6]N[6]S)2(CH3){1|C<3>}	S(C[6]N[6]2)(CH3)	117.3130	0.000	1	116.6995	0.201	4	115.7747	2.184	6	115.7747	2.184	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	3:3:4:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(CH3)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<3>,2|S<1>}	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	S(C[6]N[6]2)(CH3)	116.4950	0.225	3	116.6995	0.201	4	115.7747	2.184	6	115.7747	2.184	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	4:3:3:	3:4:	N[6]-3:N[6]-2:S-2:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C-4:	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	S(C[6]N[6]2)(CH3)	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	4:3:4:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	S(C[6]N[6]2)(CC[5a]HH)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	S(C[6]N[6]2)(CC[5a]HH)	116.3440	0.000	1	116.3440	0.000	1	116.5085	0.054	2	116.5085	0.054	2	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:2:2:	4:3:4:	3:4:	N[6]-3:N[6]-2:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	S(C[6]N[6]2)(CC[6a]HH)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	S(C[6]N[6]2)(CC[6a]HH)	116.6730	0.000	1	116.6730	0.000	1	116.5085	0.054	2	116.5085	0.054	2	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	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>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	S(C[6]C[6]N[6])(SC[6a])	120.2670	0.000	1	120.2670	0.000	1	119.7545	0.525	2	113.8322	21.397	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	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>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(SC[6a])	119.2420	0.000	1	119.2420	0.000	1	119.7545	0.525	2	113.8322	21.397	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:S-2:	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	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>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(SC[6])	110.8710	0.642	4	110.8710	0.412	4	110.8710	0.412	4	113.8322	21.397	6	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a])	N[6](C[6]C[6]N)(C[6]C[6]S)(H)	S(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]C)(N[6]C[6]H)(SC[6a]){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<4>,2|C<2>}	S(C[6]C[6]N[6])(C[6a]C[6a]2)	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	S(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	S(C[6]C[6]N[6])(CH3)	119.7870	0.000	1	119.7870	0.000	1	119.7870	0.000	1	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]N[6])(CC[5]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CC[5]HH)	117.6940	0.000	1	117.6940	0.000	1	115.7972	7.911	4	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]N[6])(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CC[6a]HH)	113.7300	2.565	2	113.7300	6.581	2	115.7972	7.911	4	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(H)	S(C[6]C[6]N[6])(CHHS)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CHHS)	118.0350	0.000	1	118.0350	0.000	1	115.7972	7.911	4	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	S(C[6]C[6]N[6])(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CCHH)	112.4904	0.296	5	112.4904	0.087	5	112.0272	0.759	17	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	S(C[6]C[6]N[6])(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CC[6a]HH)	111.9876	0.978	10	111.9876	0.956	10	112.0272	0.759	17	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	N[6](C[6]C[6]H)(C[6]C[6]S)(O)	S(C[6]C[6]N[6])(CHHS)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	S(C[6]C[6]N[6])(CHHS)	111.0670	0.502	2	111.0670	0.252	2	112.0272	0.759	17	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:1:	3:4:	N[6]-3:N[6]-3:S-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)2(SC)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H)	S(C[6]N[6]2)(CH3)	C[6](N[6]C[6,6a]H)2(SC){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	S(C[6]N[6]2)(CH3)	119.9725	5.915	2	119.9725	34.987	2	119.9725	34.987	2	113.6410	10.943	24	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6]-3:S-2:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](N[6]C[5,6]C[6a])(C[6]N[6]C)(SC)	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S)	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>}	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	S(C[6]C[6]N[6])(CCC)	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	116.1350	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a])	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<3>,2|H<1>}	S(C[6a]C[6a]N[6a])(C[6]C[6]N[6])	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	3:4:3:	3:4:	N[6]-3:C[6]-3:S-2:	C[6a]-3:B[6]-4:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC)	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	S(C[6]C[6]N[6])(CCHH)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC){1|O<2>,2|F<1>,3|C<3>}	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	S(C[6]C[6]N[6])(CCHH)	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	4:3:1:	3:2:	N[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:S-2:	C[6](N[6]C[6]H)2(SS)	N[6](C[6]C[6]HH)(C[6]N[6]S)(H)	S(C[6]N[6]2)(SC[6])	C[6](N[6]C[6]H)2(SS){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]S)(H){1|C<4>,3|H<1>}	S(C[6]N[6]2)(SC[6])	118.7149	4.806	8	118.7149	23.095	8	118.7149	23.095	8	118.7149	23.095	8	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	3:3:2:	4:3:4:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-4:C[6]-3:S-4:	C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	S(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(SC){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	S(C[6]C[6]N[6])(CH3)	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP2	C[6]	N[6]	S	4:3:2:	4:3:4:	3:4:	C[6]-4:N[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC)	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	S(C[6]C[6]N[6])(CCHH)	C[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(SC){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<3>,2|C<4>,2|H<1>}	S(C[6]C[6]N[6])(CCHH)	114.5800	0.660	2	114.5800	0.436	2	114.5800	0.436	2	114.5800	0.436	2	114.7313	11.978	70	114.7313	11.978	70
762	856	909	0:SP2_SP2_SP3	C[6]	N[6]	S	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[6]C[6]N)(N[6]C[6]C)(SC)	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3)	S(C[6]C[6]N[6])(CH3)	C[6](C[6]C[6]N)(N[6]C[6]C)(SC){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6]N)(C[6]C[6]S)(CH3){1|C<4>,2|N<3>}	S(C[6]C[6]N[6])(CH3)	116.7675	0.723	2	116.7675	0.523	2	116.7675	0.523	2	116.7675	0.523	2	116.7675	0.523	2	116.7675	0.523	2
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	N[6,6,6a]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)	C[6,6](N[6,6,6a]C[6,6a]2)(N[6]C[6]H)(N[6]C[6]){6|N<2>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6]){1|C<4>,2|S<2>,3|C<3>}	118.7820	0.000	2	118.7820	0.000	2	118.7820	0.000	2	117.8189	1.588	7	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	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>}	116.0020	0.000	1	116.0020	0.000	1	116.0135	0.000	2	117.8189	1.588	7	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(CH3){2|C<3>,3|S<2>}	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>}	116.0250	0.000	1	116.0250	0.000	1	116.0135	0.000	2	117.8189	1.588	7	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Co<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]C){1|N<3>,2|C<3>,2|C<4>}	118.7200	0.000	1	118.7200	0.000	1	118.3803	0.104	3	117.8189	1.588	7	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.2105	0.186	2	118.2105	0.035	2	118.3803	0.104	3	117.8189	1.588	7	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:3:4:	3:4:	N[6]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:	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[6a]C[6a]N[6a])(C[6]C[6]HH)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	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>}	N[6](C[6,6]N[6,6]N[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	119.0432	0.555	5	119.0432	0.308	5	119.0432	0.308	5	119.0432	0.308	5	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:4:1:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:	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]CH)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]CH)(H){2|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){3|C<4>,3|H<1>}	117.7000	0.000	1	117.7000	0.000	1	117.9500	0.125	2	117.9500	0.125	2	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:4:1:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:	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)(H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(H){5|C<4>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|H<1>,5|C<4>}	118.2000	0.000	1	118.2000	0.000	1	117.9500	0.125	2	117.9500	0.125	2	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:4:3:	3:3:	N[6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:C[5]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O){1|C<4>,3|C<3>}	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	117.0790	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:Si-4:	C[6,6]-3:C[6]-4:	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)(SiC3)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(SiC3){2|H<1>,3|C<4>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Si<4>,2|H<1>,3|C<4>}	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	114.9660	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	4:2:3:	3:3:4:	3:3:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]2C)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){2|C<3>,3|C<4>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]){4|C<3>,4|C<4>}	119.3560	0.000	1	119.3560	0.000	1	118.6315	1.050	2	118.6315	1.050	2	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	4:2:3:	3:3:4:	3:3:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](C[6,6]C[6]N[6]O)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[6,6]C[6,6]N[6])(C[6]N[6]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	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>}	117.9070	0.000	1	117.9070	0.000	1	118.6315	1.050	2	118.6315	1.050	2	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	4:2:3:	3:4:4:	3:3:	C[6,6]-4:N[6]-2:N[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6a]-3:C[6,6]-3:	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[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	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>}	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	120.8220	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:2:	3:3:3:	3:3:	C[3x6]-4:N[6]-3:N[6]-2:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6])	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](C[6,6]C[3x6]N[6])(C[6]C[6]N)	C[6,6](C[3x6]C[6,6]2C)(N[6]C[6a]C[6])(N[6]C[6]){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	N[6](C[6,6]C[3x6]N[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[3x6]N[6])(C[6]C[6]N){2|C<2>,2|C<3>,2|C<4>}	118.4420	0.000	1	118.4420	0.000	1	118.4420	0.000	1	118.4420	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6,6]	N[6]	N[6]	4:3:2:	3:3:4:	3:3:	C[6,6]-4:N[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:C-4:	C[6,6a]-3:C[6,6]-3:	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])(CH3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CH3){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	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>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	118.3307	2.008	22	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](N[6]C[5a,6]2)(N[6]N[6])2	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2)	N[6](C[6]N[6]2)(N[6]C[6]O)	C[6](N[6]C[5a,6]2)(N[6]N[6])2{2|N<2>,2|O<1>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])2(C[6]N[6]2){2|N<2>,2|O<2>,3|N<3>}	N[6](C[6]N[6]2)(N[6]C[6]O){2|C<3>,2|N<3>}	115.7412	0.484	4	115.7412	0.235	4	115.7412	0.235	4	115.7412	0.235	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:4:4:	3:3:	N[6]-3:C[6]-2:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6]2)(C[6]C[6])(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|N<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|C<3>,1|H<1>,2|C<4>}	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	118.5160	5.178	2	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:4:4:	3:3:	N[6]-3:N[6]-2:O[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6])	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2	N[6](C[6]N[6]O[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(O[6]C[6]){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]N[6]O[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]N[6]O[6])(C[6]N[6]2){1|C<3>,4|C<4>}	120.1250	0.000	1	120.1250	0.000	1	120.1250	0.000	1	118.5160	5.178	2	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|C<4>,3|H<1>,3|N<3>}	N[6](C[6]C[6]HH)(C[6]C[6]H)(C[6]N[6]2){1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|Mo<7>,1|C<4>,2|C<3>}	115.7110	0.577	2	115.7110	0.333	2	115.7110	0.333	2	115.7110	0.333	2	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|P<4>,2|C<4>}	116.8990	0.000	1	116.8990	0.000	1	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]C[6]N)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]2){1|C<3>,1|N<2>,2|C<4>}	114.7640	0.000	1	114.7640	0.000	1	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]C[6]O)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]2){1|C<3>,1|N<2>,2|C<4>}	116.2820	0.000	1	116.2820	0.000	1	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]C[6a]O[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]O[6])(C[6]N[6]2){2|C<4>,3|C<3>}	117.1330	0.000	1	117.1330	0.000	1	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	116.9501	0.478	10	116.9501	0.229	10	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)(C[6]N[6]O)	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]N[6]2)(C[6]N[6]O){1|C<3>,2|C<4>}	117.9965	2.712	2	117.9965	7.354	2	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6])2{1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]N[6]2)2{1|C<3>,4|C<4>}	118.2715	2.084	2	117.7225	1.852	4	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]N[6]2)2{1|C<3>,1|H<1>,4|C<4>}	117.1735	0.093	2	117.7225	1.852	4	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]O[6])(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]N[6]O[6])(C[6]N[6]2){1|C<3>,4|C<4>}	118.9430	0.000	1	118.9430	0.000	1	117.1621	1.392	21	117.1621	1.392	21	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	4:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	P[6]-4:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](P[6]N[6]Cl2)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6])(N[6]P[6]){2|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	N[6](P[6]N[6]Cl2)(C[6]N[6]2){1|C<3>,2|C<4>}	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	115.6360	0.000	1	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6]){1|Ir<6>,1|S<2>,2|C<4>,3|C<3>}	117.5280	0.000	1	117.5280	0.000	1	117.5280	0.000	1	117.8515	3.081	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){1|N<3>,3|C<4>,5|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|O<2>,2|C<3>,5|H<1>}	N[6](C[6]C[6]N[6])(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	116.3140	0.000	1	116.3140	0.000	1	117.9593	4.552	3	117.8515	3.081	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.3700	0.000	1	120.3700	0.000	1	117.9593	4.552	3	117.8515	3.081	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	117.1940	0.000	1	117.1940	0.000	1	117.9593	4.552	3	117.8515	3.081	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:4:	N[5a,6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:S[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6])	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO)	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	N[6](C[6]N[5a,6]N[6])(C[6]C[6]HH)2{1|C<3>,1|C<4>,1|N<2>,1|S<4>,4|H<1>}	N[6](C[6]N[5a,6]N[6])(S[6]O[6]OO){1|C<3>,1|N<2>,2|C<4>}	119.4185	0.163	2	119.4185	0.027	2	119.4185	0.027	2	119.4185	0.027	2	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:4:3:	3:3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<3>,2|C<3>,5|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|C<4>,2|H<1>}	118.8550	0.000	1	118.7165	0.038	2	119.4488	0.736	4	119.4488	0.736	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:4:3:	3:3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|N<4>,2|C<3>,5|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|C<4>,2|H<1>}	118.5780	0.000	1	118.7165	0.038	2	119.4488	0.736	4	119.4488	0.736	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:4:3:	3:3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|C<4>,2|C<3>,5|H<1>}	N[6](C[6]N[6]2)2{1|C<3>,1|H<1>,4|C<4>}	120.1810	0.158	2	120.1810	0.025	2	119.4488	0.736	4	119.4488	0.736	4	117.3874	2.430	40	117.7222	2.452	62
762	856	914	0:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:2:	4:4:3:	3:3:	N[6]-3:N[6]-2:N[6]-2:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])2	N[6](C[6]C[6]HH)2(C[6]N[6]2)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]2)(N[6]C[6])2{2|C<4>,3|N<3>,4|H<1>}	N[6](C[6]C[6]HH)2(C[6]N[6]2){1|O<2>,2|C<3>,4|H<1>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|Mo<5>,1|C<3>,2|C<4>}	116.7910	0.843	2	116.7910	0.710	2	116.7910	0.710	2	116.7910	0.710	2	117.3047	0.603	4	117.3047	0.603	4
762	856	914	0:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]C[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6]){1|Ir<6>,1|S<2>,2|C<4>,3|C<3>}	117.6710	0.000	1	117.6710	0.000	1	117.6710	0.000	1	117.6710	0.000	1	117.3047	0.603	4	117.3047	0.603	4
762	856	914	0:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:4:	C[6,6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:C[6]-4:	C[6]-3:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6])	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2	N[6](C[6]C[6,6a]N[6])(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(N[6]S[6]){1|O<2>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[6]HH)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6,6a]N[6])(S[6]O[6]OO){2|C<3>,2|C<4>}	117.9660	0.000	1	117.9660	0.000	1	117.9660	0.000	1	117.9660	0.000	1	117.3047	0.603	4	117.3047	0.603	4
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[3x6]	N[6]	3:3:2:	3:3:4:	3:3:	N[3x6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6,6]-3:B[6,6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	N[3x6](C[6,6]C[6]N[6])2(B[6,6]O[6]2F){2|H<1>,3|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	119.7237	0.119	3	119.7237	0.014	3	119.7237	0.014	3	119.7237	0.014	3	120.8193	1.064	7	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[3x6]	N[6]	3:3:2:	4:3:3:	3:3:	N[3x6]-3:C[6]-3:N[6]-2:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	121.5855	0.125	2	121.5855	0.016	2	121.6410	0.018	4	121.6410	0.018	4	120.8193	1.064	7	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[3x6]	N[6]	3:3:2:	4:3:3:	3:3:	N[3x6]-3:C[6]-3:N[6]-2:	B[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6])	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[3x6](B[6,6]C[6a]N[6]2)(C[6,6]C[6]N[6])2{4|H<1>,5|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6]){1|B<4>,2|H<1>,4|C<3>}	121.6965	0.159	2	121.6965	0.025	2	121.6410	0.018	4	121.6410	0.018	4	120.8193	1.064	7	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:2:	3:3:4:	3:4:	N[6,6]-3:S[6]-2:N[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(S[6]C[6,6a])(N[6]C[6])	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]N[6]S[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]S[6])(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	127.0055	0.177	2	127.0055	0.032	2	127.0055	0.032	2	127.0055	0.032	2	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	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>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]Cl)(C[6]C[6]H){2|H<1>,3|C<3>}	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>}	125.5415	0.211	2	125.5415	0.045	2	125.5300	0.023	3	125.5300	0.023	3	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:Ge[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H)	N[6](C[6,6a]N[6,6a]C[6a])(C[6,6]N[6,6]C[6])	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>}	N[6,6](C[6,6]C[6]N[6])(Ge[6]N[6,6a]N)(C[6]C[6]H){2|H<1>,3|C<3>}	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>}	125.5070	0.000	1	125.5070	0.000	1	125.5300	0.023	3	125.5300	0.023	3	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]C)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	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>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]S)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	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>}	123.7230	0.000	1	123.7230	0.000	1	123.7230	0.000	1	123.6837	0.006	6	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[5,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	123.7133	0.051	3	123.7133	0.003	3	123.7133	0.003	3	123.6837	0.006	6	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	N[6](C[6,6]N[6,6]C[6])2	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	N[6](C[6,6]N[6,6]C[6])2{1|B<4>,2|H<1>,4|C<3>}	123.6195	0.120	2	123.6195	0.014	2	123.6195	0.014	2	123.6837	0.006	6	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[5,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	122.1000	0.047	5	122.1000	0.002	5	122.1000	0.002	5	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]Cl){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	123.7820	0.000	1	123.7820	0.000	1	123.3988	0.224	4	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	122.7100	0.000	1	122.7100	0.000	1	123.3988	0.224	4	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[5a,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H)	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[5a,6]FF)(C[6]C[6]H){1|H<1>,1|O<2>,3|C<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6]N[6,6]C[6]){1|B<4>,1|O<2>,5|C<3>}	123.5515	0.059	2	123.5515	0.003	2	123.3988	0.224	4	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]N[6,6]FF)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])2	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6,6]HH)(C[6]C[6]H){2|H<1>,3|C<3>}	N[6](C[6,6]N[6,6]C[6])2{1|C<4>,2|H<1>,4|C<3>}	121.6075	0.343	2	121.6075	0.118	2	121.6075	0.118	2	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:S[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	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>}	N[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a]OO)(C[6]C[6]H){2|H<1>,3|C<3>}	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>}	124.9570	0.000	1	124.9570	0.000	1	124.9570	0.000	1	122.6772	1.004	13	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:3:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H)	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	N[6,6](B[6]N[5,6]C[6a]2)(C[6,6]C[6]N[6])(C[6]C[6]H){2|H<1>,7|C<3>}	N[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,5|C<3>}	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	122.3680	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:2:4:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])	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>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	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>}	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	124.4920	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(N[6]C[6]H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	124.1680	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6]){1|B<4>,1|H<1>,5|C<3>}	124.4730	0.000	1	124.4730	0.000	1	123.0945	0.682	11	123.0945	0.682	11	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	123.3600	0.000	1	123.3600	0.000	1	123.0945	0.682	11	123.0945	0.682	11	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	123.1535	0.424	4	123.1535	0.180	4	123.0945	0.682	11	123.0945	0.682	11	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	123.3777	0.406	3	122.7186	0.897	5	123.0945	0.682	11	123.0945	0.682	11	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]O[6]C){1|B<4>,1|H<1>,2|C<3>}	121.7300	0.000	2	122.7186	0.897	5	123.0945	0.682	11	123.0945	0.682	11	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[3,6]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	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>}	124.9170	0.000	1	124.9170	0.000	1	124.9170	0.000	1	125.3200	0.170	3	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	125.7420	0.000	1	125.7420	0.000	1	125.5215	0.097	2	125.3200	0.170	3	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:3:4:	3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	125.3010	0.000	1	125.3010	0.000	1	125.5215	0.097	2	125.3200	0.170	3	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:2:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:B[6]-4:N[6]-2:	C[6,6]-3:C[6,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6])	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]N[6])(N[6]C[6,6]){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(B[6]N[6,6]FF)(N[6]C[6]){1|N<3>,4|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6]){1|B<4>,1|H<1>,1|N<2>,4|C<3>}	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(N[6]C[6]){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]N[6])(B[6]O[6]FF)(C[6]C[6]H){1|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6]){1|B<4>,5|C<3>}	121.7410	0.416	2	121.7410	0.173	2	121.7410	0.173	2	121.6219	0.069	7	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	121.5140	0.000	1	121.4920	0.001	3	121.5742	0.050	5	121.6219	0.069	7	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,4|C<3>}	121.4810	0.018	2	121.4920	0.001	3	121.5742	0.050	5	121.6219	0.069	7	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6,6](C[6,6]C[6]N[6])(B[6]O[6]FF)(C[6]C[6]H){2|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6]){1|B<4>,1|H<1>,4|C<3>}	121.6975	0.387	2	121.6975	0.150	2	121.5742	0.050	5	121.6219	0.069	7	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C)	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	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>}	125.9980	0.000	1	125.9980	0.000	1	125.9980	0.000	1	123.7000	10.562	2	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:3:	3:4:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6]CC)	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>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	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>}	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	123.7000	10.562	2	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:S[6]-4:C[6]-4:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(N[6]C[6,6a])	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	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>}	N[6,6](C[6,6]C[6,6a]N[6])(S[6]C[6,6a]OO)(C[6]C[6]HH){2|H<1>,4|C<3>}	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>}	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	124.2970	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]){2|C<4>,8|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Cu<4>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Cu<4>,2|H<1>,3|C<4>}	116.7435	0.151	2	116.7435	0.023	2	119.2361	11.843	7	121.4179	20.263	10	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<4>,7|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{2|C<4>,5|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){3|C<4>,3|H<1>}	120.8680	0.000	1	120.8680	0.000	1	119.2361	11.843	7	121.4179	20.263	10	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Pd)(N[6]C[6]){2|C<4>,8|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Pd<4>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Pd<4>,2|H<1>,3|C<4>}	117.9733	0.279	3	117.9733	0.078	3	119.2361	11.843	7	121.4179	20.263	10	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Si)(N[6]C[6]){2|C<4>,8|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|Si<4>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|Si<4>,2|H<1>,3|C<4>}	126.3780	0.000	1	126.3780	0.000	1	119.2361	11.843	7	121.4179	20.263	10	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	126.5087	0.350	3	126.5087	0.122	3	126.5087	0.122	3	121.4179	20.263	10	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	4:3:3:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	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>}	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	4:3:4:	3:3:	C[5a,6]-3:N[6,6]-3:N[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	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>}	126.0430	0.000	1	126.0430	0.000	1	126.0430	0.000	1	124.9825	0.628	4	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	4:3:4:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]N[6a])	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>}	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	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>}	124.3785	0.088	2	124.3785	0.008	2	124.6290	0.192	3	124.9825	0.628	4	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:3:2:	4:3:4:	3:3:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6,6a])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	N[6](C[6,6]C[6,6a]N[6,6])(C[6,6a]C[6,6a]C[6a])	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	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>}	125.1300	0.000	1	125.1300	0.000	1	124.6290	0.192	3	124.9825	0.628	4	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:4:2:	3:4:3:	3:3:	N[6,6]-3:N[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(N[6]C[6]){1|C<3>,1|C<4>,6|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	125.0030	0.000	1	125.0030	0.000	1	125.0030	0.000	1	125.0030	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	3:4:2:	3:4:4:	3:4:	N[6,6]-3:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6])	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH)	C[6,6](N[6,6]C[6]2)(C[6]C[6]NN)(N[6]C[6]){2|N<3>,8|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)2{2|C<4>,4|N<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]N[6]HH){3|C<4>,3|N<3>}	127.5290	0.000	1	127.5290	0.000	1	127.5290	0.000	1	127.5290	0.000	1	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6,6]	N[6,6]	N[6]	4:3:2:	4:3:3:	3:4:	C[6,6]-4:N[6,6]-3:N[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:	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[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O)	N[6](C[6,6]C[6,6]N[6,6])(C[6,6]N[6,6]C[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]){1|C<3>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	N[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6,6]N[6])(C[6]C[3x6]O){2|C<2>,2|C<3>,2|H<1>,4|C<4>}	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>}	125.6795	0.115	2	125.6795	0.013	2	125.6795	0.013	2	125.6795	0.013	2	123.3482	5.446	71	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[5a,6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H)	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H)	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H)	C[6](N[6,6]C[5a,6,6]C[6])(N[6]C[6])(H){1|H<1>,2|C<3>,2|N<3>}	N[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H){1|N<2>,2|C<3>}	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	126.9600	0.000	1	125.9784	0.349	5	126.2264	0.413	7	126.1225	0.441	8	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){2|C<3>,2|H<1>}	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	125.7330	0.253	4	125.9784	0.349	5	126.2264	0.413	7	126.1225	0.441	8	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	126.9020	0.000	1	126.9020	0.000	1	126.2264	0.413	7	126.1225	0.441	8	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:B[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|O<2>}	N[6,6](C[6,6]C[6]2)(B[6]O[6]FF)(C[6]N[6]H){1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	126.7910	0.000	1	126.7910	0.000	1	126.2264	0.413	7	126.1225	0.441	8	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5a,6]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6,6]H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6])(H){1|C<3>,1|O<2>,2|C<4>,2|N<3>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6,6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.3950	0.000	1	125.3950	0.000	1	125.3950	0.000	1	126.1225	0.441	8	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|O<2>,4|C<3>}	N[6,6](B[6]C[6a]2O[6])(C[6,6]C[6]2)(C[6]N[6]H){2|H<1>,6|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	126.4962	0.199	5	126.4962	0.040	5	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	126.7675	0.199	2	126.7675	0.039	2	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	127.4830	0.000	1	127.4830	0.000	1	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	127.3220	0.000	1	127.3220	0.000	1	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]Cl)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|Cl<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]Cl){1|B<4>,1|C<3>,1|H<1>}	126.0780	0.000	1	126.0780	0.000	1	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]N)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){2|C<3>,2|F<1>,2|N<3>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]N){1|B<4>,1|C<3>,1|H<1>}	127.2010	0.000	1	127.2010	0.000	1	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:H-1:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H)	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H)	N[6](C[6]N[6,6]H)(C[6]C[6]O)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	N[6,6](B[6]N[6,6]FF)(C[6,6]C[6]2)(C[6]N[6]H){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]H)(C[6]C[6]O){1|B<4>,1|C<3>,1|H<1>}	127.1905	0.286	2	127.1905	0.082	2	126.8062	0.206	13	126.8062	0.206	13	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:2:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:O-2:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O)	N[6](C[6]N[6,6]O)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(OC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]O){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]O)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:3:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:N-3:	B[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC)	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N)	N[6](C[6]N[6,6]N)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[6,6](B[6]N[5,6]FF)(C[6,6]C[6]2)(C[6]N[6]N){1|C<2>,1|H<1>,3|C<3>}	N[6](C[6]N[6,6]N)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	123.3530	0.000	1	123.3530	0.000	1	123.3530	0.000	1	122.1285	2.999	2	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:3:	4:3:3:	3:3:	N[6,6]-3:N[6]-2:N-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]N)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	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>}	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	122.1285	2.999	2	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6,6]	N[6]	3:2:4:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C[3]-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(C[3]C[3]2H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[3])	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	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>}	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	124.2630	0.000	1	126.0065	2.079	26	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.2810	1.066	8	126.0037	0.980	12	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.8955	0.128	2	126.0037	0.980	12	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.7050	0.000	1	126.0037	0.980	12	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	125.3000	0.000	1	126.0037	0.980	12	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	125.9772	0.459	4	125.9772	0.211	4	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	126.7660	0.000	1	126.1420	0.779	2	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(H)	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)	C[6](N[6]C[5,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<2>}	N[6](C[6]C[5,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	125.5180	0.000	1	126.1420	0.779	2	126.0132	0.720	18	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<1>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	124.3510	0.000	1	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	126.9460	0.000	1	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	125.5490	0.000	1	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	126.2090	0.000	1	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.2689	0.617	18	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	125.6741	0.616	28	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	125.6818	0.681	12	125.5637	0.454	62	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|H<1>,1|N<3>,2|C<3>}	124.8895	0.380	2	125.1186	0.167	7	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<3>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|H<1>,1|N<3>,2|C<3>}	125.5230	0.000	1	125.1186	0.167	7	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	124.7910	0.044	2	125.1186	0.167	7	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	125.2260	0.000	1	125.1186	0.167	7	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	125.7200	0.000	1	125.1186	0.167	7	125.5186	0.440	69	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:1:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]O)(H)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6](N[6]C[6,6a])(N[6]C[6]O)(H){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,1|O<1>,3|C<3>}	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	125.6066	0.543	88	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:4:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<3>,2|C<4>,2|N<2>}	128.1183	0.178	3	127.1712	1.120	6	127.3434	0.908	9	127.3434	0.908	9	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:4:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|C<4>}	126.2240	0.278	3	127.1712	1.120	6	127.3434	0.908	9	127.3434	0.908	9	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:4:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<3>,2|C<4>,2|N<2>}	128.1180	0.143	2	128.1180	0.020	2	127.3434	0.908	9	127.3434	0.908	9	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	3:3:4:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]C)(H)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5a,6])(N[6]C[6]C)(H){1|C<3>,1|N<3>,1|S<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|N<2>,2|C<3>,2|C<4>}	126.8280	0.000	1	126.8280	0.000	1	127.3434	0.908	9	127.3434	0.908	9	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:1:	4:3:3:	3:3:	N[6]-2:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]C)(H)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6](N[6]C[6,6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	125.7240	0.000	1	125.7240	0.000	1	125.7240	0.000	1	125.7240	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:2:	4:3:1:	3:3:	N[6]-2:N[6]-3:S-2:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)	C[6](N[6]C[6,6a])(N[6]C[6]H)(SC){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S){1|H<1>,2|C<3>,2|C<4>}	125.8060	0.000	1	125.8060	0.000	1	125.8060	0.000	1	125.8060	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	2:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	N[6]-2:C[6]-3:O-1:	N[5,6]-3:C[6]-3:	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	N[6](N[6]C[5,6])(C[6]N[6]N)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N)	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	N[6](N[6]C[5,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N){1|N<3>,1|O<1>,3|N<2>}	122.6710	0.000	1	122.6890	0.001	2	122.6890	0.001	2	122.8073	0.042	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	2:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	N[6]-2:C[6]-3:O-1:	N[5,6]-3:C[6]-3:	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH)	N[6](N[6]C[5,6])(C[6]N[6]N)(O)	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N)	C[6](N[6]N[5,6])(N[6]N[6]O)(NHH){2|C<3>}	N[6](N[6]C[5,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	N[6](N[5,6]C[5,6]C[5])(C[6]N[6]N){1|O<1>,2|N<2>,2|N<3>}	122.7070	0.000	1	122.6890	0.001	2	122.6890	0.001	2	122.8073	0.042	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	2:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	N[6]-2:C[6]-3:O-1:	N[5a,6]-3:C[6]-3:	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH)	N[6](N[6]C[5a,6])(C[6]N[6]N)(O)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N)	C[6](N[6]N[5a,6])(N[6]N[6]O)(NHH){2|C<3>}	N[6](N[6]C[5a,6])(C[6]N[6]N)(O){1|N<2>,1|N<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]N[6]N){1|N<3>,1|O<1>,3|N<2>}	123.0440	0.000	1	123.0440	0.000	1	123.0440	0.000	1	122.8073	0.042	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6](C[6]C[5,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<1>,1|H<1>,1|N<3>,2|C<3>}	120.4230	0.000	1	120.4230	0.000	1	124.0041	7.332	7	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[5,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6](C[6]C[5,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.6010	2.410	6	124.6010	5.806	6	124.0041	7.332	7	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.3100	0.000	1	123.3100	0.000	1	123.5347	0.701	6	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|N<2>,2|C<3>,2|H<1>}	123.2215	0.648	2	123.2215	0.420	2	123.5347	0.701	6	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	123.1605	0.049	2	123.1605	0.002	2	123.5347	0.701	6	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|S<2>}	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|H<1>,1|N<3>,2|C<3>}	125.1340	0.000	1	125.1340	0.000	1	123.5347	0.701	6	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)	C[6](N[6]C[6,6a])(N[6]C[6]H)(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[6,6a]N)(C[6]N[6]N)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N){1|C<4>,1|H<1>,3|C<3>}	122.5130	0.000	1	122.5130	0.000	1	122.5130	0.000	1	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	123.6250	0.000	1	123.6250	0.000	1	123.6250	0.000	1	123.6917	3.552	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:2:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]H)(C[6]N[6]N)(NS){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|H<1>,1|N<2>,3|C<3>}	122.0475	0.301	2	122.0475	0.090	2	122.0475	0.090	2	121.8942	0.061	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:2:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|N<3>,1|O<2>,2|C<3>}	121.7390	0.000	1	121.7410	0.000	2	121.7410	0.000	2	121.8942	0.061	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	3:3:2:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]O)(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	121.7430	0.000	1	121.7410	0.000	2	121.7410	0.000	2	121.8942	0.061	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:3:	4:3:1:	3:3:	N[6]-2:N[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH)	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[5a,6])(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,2|C<4>}	N[6](C[6]N[5a,6]CC)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	123.7630	0.441	2	123.7630	0.195	2	123.7630	0.195	2	123.7630	0.195	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:4:	3:3:1:	3:3:	N[6]-2:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH)	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CCHH){1|S<1>,2|C<3>}	N[6](C[6]C[6,6a]S)(C[6]N[6]C)(H){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){2|H<1>,3|C<3>}	123.2030	0.000	1	123.2030	0.000	1	123.2030	0.000	1	123.5220	0.204	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:4:	3:3:1:	3:3:	N[6]-2:N[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6,6a])(N[6]C[6]O)(CClHH){3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(O){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	123.8410	0.000	1	123.8410	0.000	1	123.8410	0.000	1	123.5220	0.204	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:4:	3:3:4:	3:3:	N[6]-2:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF)	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6,6a])(N[6]C[6]C)(CBrFF){3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,1|H<1>,3|C<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	2:3:4:	4:3:1:	3:3:	N[6]-2:N[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6,6a])(N[6]C[6]H)(CH3){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	126.0710	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:2:1:	3:2:	N[6]-3:N[6]-2:C-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:	C[6](N[6]C[6]H)(N[6]C[6])(C)	N[6](C[6]N[6]C)(C[6]C[6])(H)	N[6](C[6]N[6]C)(C[6]C[6])	C[6](N[6]C[6]H)(N[6]C[6])(C){1|C<4>}	N[6](C[6]N[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	N[6](C[6]N[6]C)(C[6]C[6]){1|C<2>,3|H<1>}	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.4950	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:2:1:	4:3:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:	C[6](N[6]N[6]H)(N[6]C[6])(Cl)	N[6](C[6]N[6]Cl)(N[6]C[6])(H)	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](N[6]N[6]H)(N[6]C[6])(Cl){1|C<4>,2|C<3>}	N[6](C[6]N[6]Cl)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	127.8870	0.000	1	127.8870	0.000	1	127.8870	0.000	1	127.8870	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6])(H)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]H)	C[6](N[6]C[5,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]H)(H){1|Pt<6>,1|N<3>,2|C<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	125.9530	0.000	1	125.9530	0.000	1	125.9530	0.000	1	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	125.9103	0.536	16	125.9085	0.255	18	125.9085	0.255	18	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](N[6]C[5a,6]H)(N[6]C[6])(H){1|C<3>,2|N<2>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	125.8945	0.172	2	125.9085	0.255	18	125.9085	0.255	18	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	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)(H)	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)	C[6](N[6]C[6,6a]H)(N[6]C[6,6a])(H){1|C<3>,2|N<2>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H){1|H<1>,3|C<3>}	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[6]H){1|H<1>,2|C<3>}	125.8000	0.429	2	125.6418	0.149	11	125.6418	0.149	11	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]H)	C[6](N[6]C[6,6a]H)(N[6]C[6])(H){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[6]H){1|H<1>,2|C<3>}	125.6067	0.394	9	125.6418	0.149	11	125.6418	0.149	11	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(H)	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>}	123.2857	1.633	3	123.2857	2.667	3	123.2857	2.667	3	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|H<1>}	113.3660	0.000	1	113.3660	0.000	1	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|O<1>,2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O){1|C<3>,2|H<1>}	114.3010	0.000	1	114.3010	0.000	1	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	118.2583	0.539	4	118.5358	0.359	6	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]Cl)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]N[6]O){1|C<3>,2|H<1>}	119.0910	0.042	2	118.5358	0.359	6	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|F<1>}	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>}	115.4870	0.000	1	116.7820	4.083	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	118.1780	0.469	3	116.7820	4.083	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){2|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]O){1|H<1>,2|C<3>}	113.8890	0.000	1	116.7820	4.083	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<2>}	121.8600	0.000	1	120.2334	1.017	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	120.1655	0.545	2	120.2334	1.017	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	119.4880	0.057	2	120.2334	1.017	5	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<2>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<2>}	115.8820	0.728	2	116.6993	7.904	8	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,1|N<3>}	114.8752	0.302	4	116.6993	7.904	8	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.1800	0.000	1	116.6993	7.904	8	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	121.1490	0.000	1	116.6993	7.904	8	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	N[6](C[6]N[5]N[6])(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>}	N[6](C[6]N[5]N[6])(C[6]N[6]O){1|H<1>,3|C<3>}	117.1245	0.558	4	117.1245	0.312	4	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	N[6](C[6]N[6]O)2	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<2>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>}	N[6](C[6]N[6]O)2{1|C<3>,1|H<1>}	116.3530	4.077	2	118.5993	4.556	22	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	N[6](C[6]N[6]O)2	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]O)2{1|C<3>,2|H<1>}	119.1141	1.413	19	118.5993	4.556	22	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(O)	N[6](C[6]N[6]O)2(H)	N[6](C[6]N[6]O)2	C[6](N[6]C[6]H)(N[6]C[6])(O){1|N<3>,2|O<1>}	N[6](C[6]N[6]O)2(H){1|Zn<4>,1|C<3>}	N[6](C[6]N[6]O)2{1|Zn<4>,1|C<3>,1|H<1>}	113.3110	0.000	1	118.5993	4.556	22	117.9853	5.252	52	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	118.3550	0.000	1	118.3550	0.000	1	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	114.5115	3.720	2	114.5115	13.839	2	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	115.6000	0.000	1	115.6000	0.000	1	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	N[6](C[6]C[6]N)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]S){1|C<3>,2|H<1>}	120.4790	0.697	4	120.4790	0.486	4	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(H)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	N[6](C[6]N[6]S)2(H){1|Zn<5>,1|C<3>}	N[6](C[6]N[6]S)2{1|Zn<5>,1|C<3>,1|H<1>}	118.9530	0.000	1	118.4423	2.520	19	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(H)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	N[6](C[6]N[6]S)2(H){1|Zn<6>,1|C<3>}	N[6](C[6]N[6]S)2{1|Zn<6>,1|C<3>,1|H<1>}	119.3120	0.000	1	118.4423	2.520	19	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(H)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,2|S<1>}	N[6](C[6]N[6]S)2(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]S)2{1|C<3>,2|H<1>}	118.3611	1.663	17	118.4423	2.520	19	118.3443	4.461	27	120.3674	15.687	113	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	4:3:	N[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(H){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]H){1|H<1>,2|C<3>}	127.0167	0.844	6	127.0167	0.713	6	127.0167	0.713	6	125.5177	16.322	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	4:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	116.5240	0.000	1	116.5240	0.000	1	116.5240	0.000	1	125.5177	16.322	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:2:	3:3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(H)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	N[6](C[6]C[6]C)(C[6]N[6]H)	C[6](N[6]C[6]O)(N[6]C[6])(H){1|C<2>,1|C<3>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	N[6](C[6]C[6]C)(C[6]N[6]H){1|C<3>,1|N<3>,1|O<2>}	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	118.8080	40.446	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:2:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6])	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|N<1>,1|O<2>,2|C<2>}	N[6](C[5]C[5]O[5])(C[6]N[6]O)(C[6]C[6]){1|S<2>,2|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>,1|C<3>}	114.3110	0.000	1	114.3110	0.000	1	114.3110	0.000	1	118.8080	40.446	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(Cl){1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]Cl){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]Cl){1|H<1>,4|C<3>}	126.9830	0.000	1	126.9830	0.000	1	126.9830	0.000	1	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6])(O)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6]2)(N[6]C[6])(O){1|C<2>,1|C<4>,3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]O){1|H<1>,2|C<3>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(O)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	N[6](C[6]C[6]C)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(N[6]C[6])(O){1|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]O){1|H<1>,2|C<3>}	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:S-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(S)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6a]C[6])(N[6]C[6])(S){2|C<4>,3|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]N[6]S){2|H<1>,4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|H<1>,2|C<3>}	118.9790	0.000	1	118.9790	0.000	1	118.9790	0.000	1	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:Se-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	N[6](C[6]N[6]Se)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<3>}	119.0060	0.325	2	118.9767	0.055	3	118.9767	0.055	3	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:3:	3:3:	N[6]-3:N[6]-2:Se-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se)	N[6](C[6]N[6]Se)(C[6]C[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6])(Se){1|C<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]Se){3|H<1>,5|C<3>}	N[6](C[6]N[6]Se)(C[6]C[6]C){1|H<1>,2|C<3>}	118.9180	0.000	1	118.9767	0.055	3	118.9767	0.055	3	120.1013	9.230	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]C)(N[6]C[6])(H)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](N[6]C[5a,6]C)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(CH3){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>}	126.0210	0.000	1	126.0210	0.000	1	126.0210	0.000	1	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(H)	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	N[6](C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|C<4>,1|H<1>}	124.4960	0.000	1	124.4960	0.000	1	124.4960	0.000	1	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|Br<1>,1|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|Br<1>,1|C<3>,1|C<4>}	114.8270	0.000	1	116.8718	10.112	5	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	113.7980	0.000	1	116.8718	10.112	5	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|F<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|F<1>}	120.3140	0.038	2	116.8718	10.112	5	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	115.1060	0.000	1	116.8718	10.112	5	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]H)(C[6]N[6]O)(CC[5a]HH){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	115.3660	0.000	1	115.3660	0.000	1	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(O)	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]C)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]O)(CH3){1|C<3>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,1|C<4>,1|N<2>}	119.7000	0.000	1	119.7000	0.000	1	117.0607	8.410	7	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(S){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CCHH){2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]S){1|C<4>,4|C<3>}	117.7180	0.000	1	117.7180	0.000	1	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	N[6](C[6]C[6a]C[6])(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(S){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]S)(CH3){2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]S){1|C<4>,4|C<3>}	117.5170	0.000	1	117.5170	0.000	1	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	N[6](C[6]N[6]O)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|O<2>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	N[6](C[6]N[6]O)(C[6]N[6]S){1|C<3>,1|C<4>}	117.8430	0.000	1	117.8430	0.000	1	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,1|O<2>,1|S<2>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	118.0505	0.199	2	118.0505	0.039	2	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(CH3)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<2>,2|S<2>}	N[6](C[6]N[6]S)2(CH3){1|C<3>}	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	117.9350	0.000	1	117.9960	0.015	4	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(S)	N[6](C[6]N[6]S)2(CH3)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(S){1|N<3>,1|S<1>,1|S<2>}	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	N[6](C[6]N[6]S)2{1|C<3>,2|C<4>}	118.0163	0.142	3	117.9960	0.015	4	117.9070	0.044	9	118.3947	9.459	18	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6]-3:N[6]-2:H-1:	C[6,6]-3:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H)	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H)	N[6](C[6]C[6,6]N)(C[6]N[6]H)	C[6](N[6]C[6,6]C[5])(N[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[6](C[6,6]C[6,6]N[6])(C[5]C[5]O[5]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6,6]N)(C[6]N[6]H){1|C<4>,2|C<3>}	128.0710	0.000	1	128.0710	0.000	1	128.0710	0.000	1	127.7125	0.257	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	3:4:3:	3:3:	N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:	C[6](N[6]C[6a]C[6])(N[6]N[6])(H)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H)	N[6](C[6]N[6]H)(N[6]C[6]H)	C[6](N[6]C[6a]C[6])(N[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]N[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>}	127.3540	0.000	1	127.3540	0.000	1	127.3540	0.000	1	127.7125	0.257	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	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)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	116.1970	0.000	1	116.1970	0.000	1	120.6203	14.911	3	120.6203	14.911	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:1:	3:3:	N[6]-3:N[6]-2:S-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(S)	N[6](C[6]S[6]CC)(C[6]N[6]S)(H)	N[6](C[6]N[6]S)(C[6]S[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|N<3>,1|S<2>,2|C<4>}	N[6](C[6]S[6]CC)(C[6]N[6]S)(H){1|C<3>}	N[6](C[6]N[6]S)(C[6]S[6]N){1|C<4>,1|H<1>}	122.8320	0.687	2	122.8320	0.472	2	120.6203	14.911	3	120.6203	14.911	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:1:	4:3:	N[6]-3:N[6]-2:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	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)(H)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(O){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	116.8120	0.000	1	116.8120	0.000	1	116.8120	0.000	1	117.1993	0.719	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:1:	4:3:	N[6]-3:N[6]-2:S-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:	C[6](N[6]C[6,6]H)(N[6]C[6,6])(S)	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)	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>}	N[6](C[6,6]C[6,6]O[6]C)(C[6]N[6]S)(H){1|C<4>,1|H<1>,2|C<3>}	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>}	118.1720	0.000	1	118.1720	0.000	1	118.1720	0.000	1	117.1993	0.719	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:1:	4:3:	N[6]-3:N[6]-2:S-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	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)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(S){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<2>,1|C<4>,3|C<3>}	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>}	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	117.1993	0.719	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:2:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6])	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>}	N[6](C[5]C[5]O[5]H)(C[6]N[6]O)(C[6]C[6]){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<2>,2|C<4>}	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	118.7940	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]H){2|C<4>,3|C<3>}	128.1260	0.000	1	128.1260	0.000	1	128.1348	0.223	5	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(H){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	128.1370	0.546	4	128.1370	0.298	4	128.1348	0.223	5	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5,5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	115.9440	0.000	1	115.9440	0.000	1	115.1451	0.813	7	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,1|H<1>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	114.5370	0.000	1	115.0120	0.826	6	115.1451	0.813	7	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,1|C<4>,1|F<1>}	116.7010	0.000	1	115.0120	0.826	6	115.1451	0.813	7	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<3>,2|C<4>}	114.9437	0.104	3	115.0120	0.826	6	115.1451	0.813	7	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:3:	3:3:	N[6]-3:N[6]-2:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[5]C[6])(N[6]C[6])(O)	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[5]C[6])(N[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	N[6](C[5]C[5]O[5]H)(C[6]C[6]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|C<4>,2|C<3>}	114.0030	0.000	1	115.0120	0.826	6	115.1451	0.813	7	120.5575	45.264	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:4:	3:3:	N[6]-3:N[6]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H)	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)	C[6](N[6]C[5,6]C)(N[6]C[5a,6])(H){1|C<3>,1|S<2>,2|N<3>}	N[6](C[5,6]C[5a,6]N[5]S[5])(C[6]N[6]H)(CCHH){1|N<2>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H){1|C<3>,1|N<2>,3|C<4>}	129.0560	0.000	1	129.0560	0.000	1	129.0560	0.000	1	128.3735	0.932	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:1:	4:3:4:	3:3:	N[6]-3:N[6]-2:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H)	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)	C[6](N[6]C[5,6]C)(N[6]C[6,6a])(H){1|C<4>,3|C<3>}	N[6](C[5,6]C[6,6a]C[5]2)(C[6]N[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H){1|H<1>,2|C<3>,2|C<4>}	127.6910	0.000	1	127.6910	0.000	1	127.6910	0.000	1	128.3735	0.932	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N)	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	N[6](C[6,6a]N[6,6,6a]N[6a])(C[6]N[6]N){1|H<1>,3|C<3>}	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	121.2340	0.000	1	121.2340	0.000	1	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	121.4115	0.168	2	121.0180	0.479	3	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.2310	0.000	1	121.0180	0.479	3	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	121.3700	0.000	1	121.3700	0.000	1	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	120.5250	0.593	2	120.5250	0.351	2	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	123.4250	0.000	2	123.4250	0.000	2	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.4320	0.000	1	120.5765	0.042	2	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.7210	0.000	1	120.5765	0.042	2	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.4420	0.000	1	121.1053	0.477	3	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	121.4370	0.542	2	121.1053	0.477	3	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	120.6256	0.666	13	120.6256	0.444	13	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	120.3142	0.357	10	120.3142	0.128	10	120.7919	0.736	37	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]F)(N[6]C[6])(OC)	N[6](C[6]N[6]O)2(F)	N[6](C[6]N[6]O)2	C[6](N[6]C[6]F)(N[6]C[6])(OC){1|N<2>,2|O<2>}	N[6](C[6]N[6]O)2(F){1|C<3>}	N[6](C[6]N[6]O)2{1|C<3>,1|F<1>}	119.9155	0.370	2	119.9155	0.137	2	119.9155	0.137	2	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H)	N[6](C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6](C[6]C[6]Ir)(C[6]N[6]O)(H){2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>}	125.7530	0.000	1	125.7530	0.000	1	121.1760	9.699	4	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(OCa)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(OCa){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	120.4980	0.000	1	120.4980	0.000	1	121.1760	9.699	4	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(OCo)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(OCo){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	119.0160	0.000	1	119.0160	0.000	1	121.1760	9.699	4	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(OMn)	N[6](C[6]C[6]H)(C[6]N[6]O)(H)	N[6](C[6]C[6]N)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(OMn){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]O){1|C<3>,2|H<1>}	119.4370	0.000	1	119.4370	0.000	1	121.1760	9.699	4	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,2|H<1>}	123.4590	0.000	1	123.4590	0.000	1	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,2|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,2|H<1>}	122.8390	0.000	1	122.8390	0.000	1	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	N[6](C[6]N[6]N)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	N[6](C[6]N[6]N)(C[6]N[6]S){1|C<3>,1|H<1>}	123.1795	0.267	2	123.1795	0.071	2	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	119.6220	0.765	4	119.6220	0.585	4	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]H)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	118.5343	0.503	3	118.5343	0.253	3	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SCu)	N[6](C[6]C[6]S)(C[6]N[6]S)(H)	N[6](C[6]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SCu){1|C<3>,1|H<1>,1|S<2>}	N[6](C[6]C[6]S)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]S){1|C<3>,2|H<1>}	118.3470	0.426	2	118.3470	0.181	2	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SIr)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SIr){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|H<1>}	120.6550	0.000	1	120.6550	0.000	1	120.2926	4.190	14	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:	C[6](N[6]C[6]H)(N[6]N[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	N[6](C[6]N[6]S)(N[6]C[6]C)	C[6](N[6]C[6]H)(N[6]N[6])(SC){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]N[6]S)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>}	124.9440	0.000	1	124.9440	0.000	1	124.9440	0.000	1	120.7857	2.419	59	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:N-2:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]N){1|H<1>,2|C<3>}	123.4437	0.615	3	123.4437	0.378	3	123.4437	0.378	3	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:O-2:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]O)	C[6](N[6]C[6,6a]H)(N[6]S[6])(OC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]O){1|H<1>,2|C<3>}	126.9600	0.948	2	126.9600	0.898	2	126.9600	0.898	2	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:S-2:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]S)	C[6](N[6]C[6,6a]H)(N[6]S[6])(SC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]S){1|H<1>,2|C<3>}	125.0960	0.000	1	125.0960	0.000	1	125.0960	0.000	1	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	125.3230	0.000	1	125.3230	0.000	1	125.3892	0.131	6	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	125.3905	0.464	4	125.3905	0.215	4	125.3892	0.131	6	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:1:	4:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)	C[6](N[6]C[6]H)(N[6]C[6])(SC){1|C<3>,1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]N[6]S)2(H){1|C<4>,1|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S){2|H<1>,3|C<3>}	125.4500	0.000	1	125.4500	0.000	1	125.3892	0.131	6	125.1402	1.631	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CN){1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	127.6740	0.000	1	127.6740	0.000	1	127.6740	0.000	1	122.1570	24.567	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[5,6]N[5,6]N[5])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,3|C<3>}	N[6](C[5,6]N[5,6]N[5])(C[6]N[6]N){2|C<4>,3|C<3>}	118.3810	0.000	2	118.3810	0.000	2	118.3810	0.000	2	122.1570	24.567	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N){4|C<3>}	118.0040	0.000	1	118.0040	0.000	1	117.9945	0.000	2	122.1570	24.567	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){2|C<3>}	117.9850	0.000	1	117.9850	0.000	1	117.9945	0.000	2	122.1570	24.567	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(OC){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O){1|N<2>,4|C<3>}	127.3370	0.365	2	127.3370	0.133	2	127.3370	0.133	2	122.1570	24.567	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CC)	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(OC)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	N[6](C[6]N[6]O)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|S<1>,1|S<2>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	N[6](C[6]N[6]O)(C[6]N[6]S){1|C<3>,1|C<4>}	124.3120	0.143	2	124.3120	0.020	2	124.3023	0.010	3	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(OC)	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3)	N[6](C[6]N[6]O)2	C[6](N[6]C[6]C)(N[6]C[6])(OC){1|N<2>,1|O<2>,1|S<1>}	N[6](C[6]N[6]O)(C[6]N[6]S)(CH3){1|C<3>}	N[6](C[6]N[6]O)2{1|C<3>,1|C<4>}	124.2830	0.000	1	124.2830	0.000	1	124.3023	0.010	3	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3)	N[6](C[6]C[6]O)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]S)(CH3){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]S){1|C<3>,3|C<4>}	127.5730	0.755	2	127.5730	0.570	2	124.8438	5.045	6	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(CH3)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<2>,1|S<1>,1|S<2>}	N[6](C[6]N[6]S)2(CH3){1|C<3>}	N[6](C[6]N[6]S)2{1|C<3>,1|C<4>}	122.3650	0.000	1	123.4792	0.769	4	124.8438	5.045	6	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:3:4:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]N[6]S)2(CH3)	N[6](C[6]N[6]S)2	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|N<3>,2|S<1>}	N[6](C[6]N[6]S)2(CH3){1|C<3>,1|C<4>}	N[6](C[6]N[6]S)2{1|C<3>,2|C<4>}	123.8507	0.571	3	123.4792	0.769	4	124.8438	5.045	6	124.4276	3.426	10	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	3:4:3:	3:3:	N[6]-3:N[6]-2:C-2:	C[5a]-3:C[6]-4:C[6]-3:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN)	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]C)	C[6](N[6]C[5a]C[6])(N[6]C[5a,6])(CN){1|C<2>,1|S<2>,2|C<3>,2|N<3>}	N[6](C[5a]C[5a]N[5a])(C[6]C[5a,6]CS)(C[6]N[6]C){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]C){1|N<2>,2|C<3>,2|C<4>}	127.6850	0.000	1	127.6850	0.000	1	127.6850	0.000	1	127.6850	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:1:	3:3:	N[6]-3:N[6]-2:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(OC)	N[6](C[6]C[6]HH)(C[6]N[6]O)(H)	N[6](C[6]C[6]H)(C[6]N[6]O)	C[6](N[6]C[6]H)(N[6]C[6])(OC){1|C<3>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]O)(H){2|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	127.0680	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:1:	4:3:	N[6]-3:N[6]-2:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(H)	N[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(H){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N){1|C<4>,3|H<1>}	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	120.9570	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:3:	4:3:	N[6]-3:N[6]-2:S-2:	C[5,6]-4:C[6]-3:C-3:	C[5,6]-4:C[6]-3:	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O)	N[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]N[6]S)	C[6](N[6]C[5,6]C)(N[6]C[5,6])(SC){1|H<1>,2|C<3>,2|C<4>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]S)(CC[6a]O){3|C<4>,3|H<1>}	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>}	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	125.9440	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:4:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|C<4>}	124.8860	0.000	1	124.8860	0.000	1	124.9250	0.003	2	124.9250	0.003	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:2:	4:3:4:	3:3:	N[6]-3:N[6]-2:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(SC)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	N[6](C[6]C[6]C)(C[6]N[6]S)	C[6](N[6]C[6]C)(N[6]C[6])(SC){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]S){1|C<3>,2|C<4>}	124.9640	0.000	1	124.9640	0.000	1	124.9250	0.003	2	124.9250	0.003	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:2:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>}	N[6](C[6]N[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<4>,1|H<1>,1|N<2>}	120.9825	0.098	2	120.9825	0.010	2	121.6125	0.357	23	121.6125	0.357	23	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:2:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:	C[6](N[6]N[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)(N[6]C[6])(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]N[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<3>}	N[6](C[6]N[6]N)(N[6]C[6])(H){2|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	121.6725	0.590	21	121.6725	0.348	21	121.6125	0.357	23	121.6125	0.357	23	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	N[6](C[6]C[6]H)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	122.6570	0.000	1	122.6570	0.000	1	122.6570	0.000	1	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]N)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	N[6](C[5,6]C[5,6]C[5])(C[6]N[6]N)(H){1|H<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	123.0030	0.000	1	123.0030	0.000	1	123.3210	0.078	3	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH)	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H)	N[6](C[6]C[5,6]N)(C[6]N[6]N)	C[6](N[6]C[5,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	N[6](C[5,6]C[5,6]N[5])(C[6]N[6]N)(H){1|Co<6>,1|N<3>,2|C<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>}	123.4800	0.059	2	123.4800	0.004	2	123.3210	0.078	3	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|C<3>,1|N<2>,1|O<2>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	124.0040	0.000	1	124.0565	0.006	2	123.3887	1.341	3	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]N)(H){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>}	124.1090	0.000	1	124.0565	0.006	2	123.3887	1.341	3	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH)	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H)	N[6](C[6]N[5a,6]N)(C[6]N[6]N)	C[6](N[6]C[5a,6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	N[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]N)(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]N[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	122.0530	0.000	1	122.0530	0.000	1	123.3887	1.341	3	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H){1|N<2>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	123.3578	0.482	8	123.3578	0.232	8	123.5897	0.687	9	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N[6](C[6]C[6,6a]N)(C[6]N[6]N)	C[6](N[6]C[6,6a]H)(N[6]C[6])(NHN){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[6]N){1|H<1>,2|C<3>}	125.4450	0.000	1	125.4450	0.000	1	123.5897	0.687	9	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	121.2265	0.187	2	121.2265	0.035	2	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){2|C<3>}	N[6](C[6]C[6]O)(C[6]N[6]N){1|H<1>,2|C<3>}	124.0340	0.000	1	124.7392	0.286	4	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	124.9743	0.311	3	124.7392	0.286	4	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	122.7527	0.445	6	122.7527	0.198	6	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]N[6]N)(C[6]N[6]S)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	N[6](C[6]N[6]N)(C[6]N[6]S)(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	121.5300	0.929	2	121.5300	0.863	2	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	121.8106	0.303	5	121.8106	0.092	5	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	122.5280	1.080	2	122.5280	1.167	2	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	125.9190	0.000	1	125.9190	0.000	1	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	121.4605	0.890	2	121.4605	0.793	2	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	121.8868	0.712	24	121.8868	0.507	24	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	121.5683	0.316	3	121.5683	0.100	3	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|H<1>,2|C<3>}	122.0148	0.504	31	122.0148	0.254	31	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,2|H<1>}	122.2087	0.590	6	122.2087	0.348	6	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	121.4452	0.202	5	121.4452	0.041	5	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,2|H<1>}	121.1018	0.404	27	121.1134	0.161	28	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|Cl<1>,1|C<3>,1|H<1>}	121.4260	0.000	1	121.1134	0.161	28	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	122.1905	0.626	27	122.2826	0.391	34	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	122.6379	0.512	7	122.2826	0.391	34	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<1>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	122.9620	0.000	1	122.5588	0.100	5	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]Cl)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]Cl)(C[6]N[6]N){1|C<3>,2|H<1>}	122.4580	0.256	4	122.5588	0.100	5	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,2|H<1>}	123.4005	0.549	4	123.4005	0.302	4	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H)	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[6]N[6])(C[6]N[6]N)(H){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.9900	0.000	1	122.9900	0.000	1	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	N[6](C[6]C[6]O)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,2|O<2>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]O)(C[6]N[6]N){1|C<3>,2|H<1>}	122.3378	0.447	21	122.3378	0.200	21	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]N){2|H<1>,3|C<3>}	122.2460	0.000	1	122.2460	0.000	1	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H){3|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	121.1515	0.385	4	121.1515	0.149	4	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.9228	0.381	10	120.9228	0.145	10	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	121.2805	0.223	2	121.2805	0.050	2	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	122.1400	0.158	2	121.6466	0.289	184	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	121.6272	0.521	165	121.6466	0.289	184	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|N<3>,2|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]N)2{1|C<3>,1|H<1>}	120.9042	0.239	5	121.6466	0.289	184	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<3>,2|H<1>}	122.1404	0.417	12	121.6466	0.289	184	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHN)	N[6](C[6]N[6]N)2(H)	N[6](C[6]N[6]2)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHN){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N[6](C[6]N[6]2)(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	123.1760	0.452	5	123.1760	0.204	5	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHS)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHS){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,2|H<1>}	123.2669	0.192	7	123.2669	0.037	7	121.8659	0.618	399	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NCH)	N[6](C[6]C[6]H)(C[6]N[6]N)(O)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]O)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(O){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<1>}	123.7310	0.000	1	123.7310	0.000	1	121.8109	0.811	8	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)(C[6]N[6]O)(O)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(O){1|C<3>,1|O<2>}	N[6](C[6]N[6]N)2{1|C<3>,1|O<1>,1|O<2>}	122.2680	0.000	1	122.2680	0.000	1	121.8109	0.811	8	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(O)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	N[6](C[6]N[6]N)2(O){1|C<3>,1|O<1>}	N[6](C[6]N[6]N)2{1|C<3>,2|O<1>}	121.4147	0.411	6	121.4147	0.169	6	121.8109	0.811	8	121.9245	0.710	423	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	4:3:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6](N[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	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>}	125.7690	0.182	2	125.7690	0.033	2	125.7690	0.033	2	125.0690	1.487	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	4:3:	N[6]-3:N[6]-2:N-3:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]N)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]N){1|H<1>,2|C<3>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	125.0690	1.487	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO){4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.5560	0.604	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]C[6]N)(C[6]N[6]N)(OH)	N[6](C[6]C[6]N[6])(C[6]N[6]N)	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(OH){1|C<3>,1|H<1>}	N[6](C[6]C[6]N[6])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.0880	0.000	1	119.0880	0.000	1	120.5020	0.701	6	120.5560	0.604	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<1>}	N[6](C[6]N[6]N)2{1|C<3>,1|O<1>,1|O<2>}	120.9100	0.000	1	121.1243	0.101	3	120.5020	0.701	6	120.5560	0.604	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)(C[6]N[6]O)(OH)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){1|O<1>,2|N<3>}	N[6](C[6]N[6]N)(C[6]N[6]O)(OH){1|C<3>,1|O<2>}	N[6](C[6]N[6]N)2{1|C<3>,2|O<2>}	121.2315	0.366	2	121.1243	0.101	3	120.5020	0.701	6	120.5560	0.604	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:	C[6](N[6]C[6]O)(N[6]C[6])(NHH)	N[6](C[6]N[6]N)2(OH)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]O)(N[6]C[6])(NHH){3|N<3>}	N[6](C[6]N[6]N)2(OH){1|C<3>,1|O<2>}	N[6](C[6]N[6]N)2{1|C<3>,2|O<2>}	120.2755	0.192	2	120.2755	0.037	2	120.5020	0.701	6	120.5560	0.604	7	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	N[6](C[6]C[6]O)(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC){1|C<4>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	N[6](C[6]C[6]O)(C[6]N[6]C){2|C<3>,2|C<4>}	124.7510	0.000	1	124.7510	0.000	1	124.7510	0.000	1	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]N[6]N){4|C<3>}	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N){1|O<2>,4|C<3>}	122.2490	0.000	1	122.2490	0.000	1	122.2490	0.000	1	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){2|N<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N){4|C<3>}	121.1190	0.000	1	121.1190	0.000	1	121.2855	0.055	2	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){1|C<4>,2|C<3>,2|N<2>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){2|C<3>}	121.4520	0.000	1	121.4520	0.000	1	121.2855	0.055	2	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:3:	3:3:	N[6]-3:N[6]-2:N[5]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(N[5]C[5]2)	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5]N[6])	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>}	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	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>}	124.1880	0.000	1	124.1880	0.000	1	124.1880	0.000	1	123.0767	2.767	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]N[6]C){1|S<4>,4|C<3>}	117.2010	0.000	1	117.2010	0.000	1	117.2010	0.000	1	120.5056	3.909	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	N[6](C[6]C[6]H)(C[6]N[6]N)	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|C<3>,1|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	120.6270	0.011	2	120.6270	0.000	2	121.3317	0.662	4	120.5056	3.909	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:3:4:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(NHH)	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]C)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]N)(CHHP){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	122.0365	0.013	2	122.0365	0.000	2	121.3317	0.662	4	120.5056	3.909	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	3:4:3:	3:3:	N[6]-3:N[6]-2:C-3:	C[6a]-3:S[6]-4:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|S<4>}	127.1320	0.000	1	127.1320	0.000	1	127.1320	0.000	1	127.1320	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	C[6a]-3:N[6]-2:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H){4|C<3>}	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>}	124.9260	0.000	1	124.9260	0.000	1	124.2770	0.353	3	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	C[6a]-3:N[6]-2:N[6]-3:	C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]H){4|C<3>,4|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H){4|C<3>}	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>}	123.9525	0.274	2	123.9525	0.075	2	124.2770	0.353	3	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){4|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	122.7570	0.000	1	122.7570	0.000	1	122.6959	1.306	10	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	N[6](C[6]C[6a]C[6])(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6])(C[6]N[6]N){1|C<4>,2|C<3>,2|H<1>}	124.7080	0.000	1	124.7080	0.000	1	122.6959	1.306	10	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)(H){3|C<3>}	N[6](C[6]N[6]N)2{1|C<4>,1|H<1>}	122.4950	0.805	6	122.4950	0.648	6	122.6959	1.306	10	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NHH){2|C<4>,2|N<3>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<4>,2|H<1>}	123.6480	0.000	1	123.6480	0.000	1	122.6959	1.306	10	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NPtH)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	N[6](C[6]N[6]N)2	C[6](N[6]C[6]H)(N[6]C[6])(NPtH){2|C<4>,2|N<3>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N[6](C[6]N[6]N)2{1|C<4>,2|H<1>}	120.8760	0.000	1	120.8760	0.000	1	122.6959	1.306	10	123.0608	1.519	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:1:	4:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]S[6])(NCC)	N[6](C[6]N[6]CC)(C[6]N[6]N)(H)	N[6](S[6]N[6]OO)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]S[6])(NCC){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	N[6](C[6]N[6]CC)(C[6]N[6]N)(H){1|C<3>,1|S<4>}	N[6](S[6]N[6]OO)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	123.7730	0.000	1	123.7730	0.000	1	123.7730	0.000	1	123.7730	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6]N[6]N)2	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	N[6](C[6]N[6]N)2{1|Si<4>,1|C<3>}	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:4:	3:3:	C[6a]-3:N[6]-2:N[6]-3:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){2|H<1>,6|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	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>}	125.5990	0.373	2	125.5990	0.139	2	125.4043	0.183	3	125.4043	0.183	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:4:	3:3:	C[6a]-3:N[6]-2:N[6]-3:	C[6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	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>}	125.0150	0.000	1	125.0150	0.000	1	125.4043	0.183	3	125.4043	0.183	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	4:3:4:	4:3:	N[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(NCH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]N)	C[6](N[6]C[6]C)(N[6]C[6])(NCH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CCHH){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N){2|C<4>,2|H<1>}	125.9055	0.281	2	125.9055	0.079	2	125.9055	0.079	2	125.9055	0.079	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:3:	5:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	Si[4,6]-5:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC)	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6]N[4,6]N)(C[6]N[6]N)	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC){2|C<3>,2|F<1>,3|N<3>}	N[6](Si[4,6]N[4,6]2FF)(C[6a]C[6a]2)(C[6]N[6]N){1|Si<5>,2|C<4>,4|C<3>}	N[6](C[6]N[4,6]N)(C[6]N[6]N){2|Si<5>,1|C<3>}	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	125.9330	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:2:3:	3:2:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-2:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]N[6]C)(N[6]C[6])	C[6](N[6]N[6]C)(N[6]N[6])(CH3){1|C<3>}	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<3>,1|N<2>}	N[6](C[6]N[6]C)(N[6]C[6]){1|N<2>,2|C<3>}	105.5750	0.000	2	105.5750	0.000	2	105.5750	0.000	2	105.5750	0.000	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:2:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](N[6]N[6]C)(N[6]N[6])(CCHH)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]N[6]C)(N[6]C[6]C)	C[6](N[6]N[6]C)(N[6]N[6])(CCHH){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	118.6320	0.267	2	118.6320	0.071	2	120.0706	1.864	14	120.0706	1.864	14	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:2:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]N[6]C)(N[6]C[6])(CNO)	N[6](C[6]N[6]C)(N[6]C[6]C)	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6])(CNO){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	119.8350	0.791	10	119.8350	0.625	10	120.0706	1.864	14	120.0706	1.864	14	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:2:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](N[6]N[6]C)(N[6]N[6])(CH3)	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O)	N[6](C[6]N[6]C)(N[6]C[6]C)	C[6](N[6]N[6]C)(N[6]N[6])(CH3){2|C<3>}	N[6](C[6]N[6]C)(N[6]C[6])(CN[6]O){1|C<4>,1|N<3>}	N[6](C[6]N[6]C)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>}	122.6875	0.378	2	122.6875	0.143	2	120.0706	1.864	14	120.0706	1.864	14	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:2:4:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CH3){2|C<3>}	N[6](C[6]N[6]C)(C[6]C[6])(CH3){1|C<3>,1|O<2>}	N[6](C[6]C[6]C)(C[6]N[6]C){1|C<2>,1|C<4>,1|O<2>}	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]C)(C[6]N[6]C)(H)	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]C){1|Cl<1>,1|C<3>,1|H<1>}	122.2605	0.064	2	122.2605	0.004	2	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]H)(C[6]N[6]C)(H)	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>}	122.6523	0.428	9	122.6523	0.183	9	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6]C[6]C)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cl<1>,1|C<3>}	N[6](C[6]C[6]C)(C[6]N[6]C){1|Cl<1>,1|C<3>,1|H<1>}	123.1615	0.088	2	123.1615	0.008	2	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]N)(C[6]N[6]C)(H)	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,2|H<1>}	123.0540	0.000	1	123.0540	0.000	1	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<2>,2|N<3>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	122.3030	0.435	10	122.3532	0.210	12	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|N<2>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	123.0800	0.000	1	122.3532	0.210	12	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N[6](C[6]N[6]C)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){3|N<2>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]N){1|C<3>,1|H<1>}	122.1280	0.000	1	122.3532	0.210	12	122.5387	0.220	26	122.5387	0.220	26	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:1:	4:3:	N[6]-3:N[6]-2:C-4:	C[6,6a]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	N[6](S[6]C[6,6a]OO)(C[6]N[6]C)	C[6](N[6]C[6,6a]H)(N[6]S[6])(CHHS){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	N[6](S[6]C[6,6a]OO)(C[6]N[6]C){1|H<1>,2|C<3>}	126.6860	0.324	2	126.6860	0.105	2	126.6860	0.105	2	126.6860	0.105	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CF3){5|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	127.7210	0.000	1	127.7210	0.000	1	125.1860	4.829	3	123.8296	5.864	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3){1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,4|C<3>}	123.9185	0.136	2	123.9185	0.019	2	125.1860	4.829	3	123.8296	5.864	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:3:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3)	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)	C[6](N[6]N[6a]C[6])(N[6]C[6,6a])(CH3){1|S<1>,4|C<3>}	N[6](C[6]C[6,6a]S)(N[6a]C[6a]2)(C[6]N[6]C){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C){1|H<1>,1|N<3>,3|C<3>}	121.7950	0.000	2	121.7950	0.000	2	121.7950	0.000	2	123.8296	5.864	5	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:4:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH)	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]N[6]C)(CC[6]HH){1|C<3>,1|C<4>}	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<3>,2|C<4>}	122.2855	1.413	4	122.2855	1.997	4	122.2855	1.997	4	122.2855	1.997	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	3:3:4:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	B[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]B[6])(CH3)	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH)	N[6](B[6]C[6a]2N[6])(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]B[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]N[6]C)(C[6]N[6]H)(CCCH){1|B<4>,1|C<4>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]C){2|C<4>,5|C<3>}	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.1520	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:1:	3:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CH3)	N[6](C[6]C[6]CH)(C[6]N[6]C)(H)	N[6](C[6]C[6]N)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N[6](C[6]C[6]CH)(C[6]N[6]C)(H){1|C<2>,1|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]C){1|C<2>,1|C<4>,1|H<1>}	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	124.9430	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:1:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<3>}	127.9100	0.000	1	127.9100	0.000	1	127.9163	0.001	3	127.9163	0.001	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:1:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(CN3)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]H)(N[6]C[6])(CN3){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|H<1>,1|N<3>}	127.9195	0.032	2	127.9195	0.001	2	127.9163	0.001	3	127.9163	0.001	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:2:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(CClNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(CClNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,1|N<2>,1|N<3>}	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	125.6030	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:3:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,2|N<3>}	122.6610	0.000	1	122.6610	0.000	1	123.5903	1.212	3	123.5903	1.212	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:3:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(CN3)	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO)	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(CN3){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(NOO){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C){1|C<4>,1|N<3>,2|H<1>}	124.0550	1.062	2	124.0550	1.128	2	123.5903	1.212	3	123.5903	1.212	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:4:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CAsCH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	125.5850	0.000	1	125.5850	0.000	1	124.1957	2.903	7	124.4313	2.932	8	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:4:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CCHH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	123.5710	1.622	5	123.5710	2.632	5	124.1957	2.903	7	124.4313	2.932	8	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:4:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6]C)(N[6]C[6])(CCHP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	N[6](C[6]C[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]C)(N[6]C[6])(CCHP){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C){2|C<4>,2|H<1>}	125.9300	0.000	1	125.9300	0.000	1	124.1957	2.903	7	124.4313	2.932	8	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:2:4:	4:3:4:	4:3:	N[6]-3:N[6]-2:C-4:	P[6,6]-4:C[6]-3:C-4:	P[6,6]-4:C[6]-3:	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3)	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3)	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)	C[6](N[6]P[6,6]C)(N[6]P[6,6])(CH3){1|S<2>,2|C<3>,2|S<1>}	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C)(CH3){1|P<4>,2|C<3>}	N[6](P[6,6]C[6,6a]S[6,6]S)(C[6]N[6]C){1|C<4>,1|P<4>,2|C<3>}	126.0800	0.000	1	126.0800	0.000	1	126.0800	0.000	1	124.4313	2.932	8	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[5a]N[6])(N[6]C[6])(H)	N[6](C[6]C[5a]N[6])(N[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	N[6](C[6]C[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	125.6250	0.000	1	125.6250	0.000	1	125.6250	0.000	1	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	121.0645	0.122	2	121.0645	0.015	2	121.0883	0.118	10	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.0883	0.118	10	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](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]N[6]){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	120.8940	0.069	2	120.9672	0.083	6	121.0883	0.118	10	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](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]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	121.0037	0.361	4	120.9672	0.083	6	121.0883	0.118	10	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]N[6a]2)(N[6]N[6]H)(N[6]N[6]){1|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<3>,1|N<3>,2|N<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,3|N<2>}	121.1260	0.000	1	121.1260	0.000	1	121.0883	0.118	10	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]N[5a]N[6])(N[6]C[6])(H)	N[6](C[6]N[5a]N[6])(N[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(N[6]N[6]H)(N[6]N[6]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]N[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	N[6](C[6]N[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	123.4280	0.025	2	123.4280	0.001	2	123.4280	0.001	2	121.7972	2.172	13	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)	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>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]CC){1|H<1>,1|N<2>,3|C<3>}	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	4:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[4]C[6]H)(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,1|N<2>,2|C<3>}	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>}	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.4810	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:2:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:N-2:	C[6]-3:N[6]-2:	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS)	N[6](C[6]C[6a]N[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6]N)(N[6]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(NS){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){2|N<2>,3|C<3>}	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(CC[6a]O){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	119.1810	0.000	1	119.1810	0.000	1	118.5260	0.366	4	118.5260	0.366	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	118.3110	0.000	1	118.3110	0.000	1	118.5260	0.366	4	118.5260	0.366	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(COO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|N<2>,4|C<3>}	118.3060	0.725	2	118.3060	0.526	2	118.5260	0.366	4	118.5260	0.366	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	126.7010	0.279	6	126.7010	0.078	6	126.7010	0.078	6	125.7445	1.641	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	N[6](C[6]C[6a]N[6])(O[6]C[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){3|C<3>,3|H<1>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	125.7445	1.641	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,4|C<3>}	125.3885	1.050	8	125.3885	1.103	8	125.3885	1.103	8	125.7445	1.641	15	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[5]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[5]N[6])(C[6]C[6]H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]H)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	N[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	N[6](C[6]C[5]N[6])(C[6]C[6]H){2|H<1>,3|C<3>}	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O){1|H<1>,1|S<2>,3|C<3>}	125.3220	0.000	1	125.3220	0.000	1	125.3220	0.000	1	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]N[6]2)(N[6]C[6]H)(N[6]C[6]){3|C<3>,3|H<1>}	N[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[6]N[6])(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	124.5135	1.554	2	124.5135	2.413	2	124.5135	2.413	2	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	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]N[6]N)(H)	N[6](C[6]C[6a]N[6])(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N)(H){3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]N[6]N){1|H<1>,3|C<3>}	121.6333	0.439	4	121.6333	0.193	4	121.9424	0.318	7	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]N[6a]2)(N[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[6](C[6]C[6a]N[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	122.3547	0.469	3	122.3547	0.220	3	121.9424	0.318	7	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])2(H)	N[6](C[6]C[6a]N[6])(N[6]N[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]N[6]){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])2(H){1|N<3>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]N[6]C){1|H<1>,3|C<3>}	120.6015	0.370	2	120.6015	0.137	2	120.6015	0.137	2	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-3:	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])2(H)	N[6](C[6]C[6a]N[6])(S[6]N[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	N[6](C[6]C[6a]N[6])(S[6]N[6]C){1|H<1>,1|N<2>,2|C<3>}	125.3815	0.342	2	125.3815	0.117	2	125.3060	0.104	4	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-3:	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])2(H)	N[6](C[6]C[6a]N[6])(S[6]N[6]O)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)(N[6]S[6]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[6](C[6]C[6a]N[6])2(H){1|S<3>,2|C<3>,2|N<2>}	N[6](C[6]C[6a]N[6])(S[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	125.2305	0.414	2	125.2305	0.171	2	125.3060	0.104	4	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6])	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H)	N[6](C[6]N[5a]N[6])(C[6]C[6]O)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]N[5a]N[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|H<1>}	125.2530	0.098	2	125.2530	0.010	2	125.2530	0.010	2	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-3:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){1|O<1>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O){1|H<1>,4|C<3>}	125.3355	0.093	2	125.3355	0.009	2	125.3355	0.009	2	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6]H)(C[6]N[6]2)(H)	N[6](C[6]C[6]H)(C[6]N[6]2)	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|C<3>,2|C<4>,6|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|C<4>,2|H<1>}	120.9385	0.465	2	120.9385	0.216	2	121.2505	0.204	4	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	N[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]N[6]2)2(H)	N[6](C[6]N[6]2)2	C[6](N[6]C[6]2)(N[6]C[6]H)(N[6]C[6]){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6](C[6]N[6]2)2(H){1|C<3>,4|C<4>}	N[6](C[6]N[6]2)2{1|C<3>,1|H<1>,4|C<4>}	121.5625	0.087	2	121.5625	0.008	2	121.2505	0.204	4	123.0423	4.227	25	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:4:	N[5a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-4:	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6])	N[6](C[6]N[5a]N[6])2(H)	N[6](C[6]N[5a]N[6])(P[6]N[6]OO)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]H)(N[6]P[6]){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]N[5a]N[6])2(H){1|P<4>,2|C<3>,2|N<2>}	N[6](C[6]N[5a]N[6])(P[6]N[6]OO){1|H<1>,1|N<2>,2|C<3>}	125.7255	0.384	2	125.7255	0.147	2	125.7255	0.147	2	125.7255	0.147	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:2:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[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]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	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>}	122.0660	0.184	2	122.0660	0.034	2	122.0660	0.034	2	122.0660	0.034	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-2:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){1|N<3>,4|C<3>}	119.1037	0.251	3	119.1037	0.063	3	119.1037	0.063	3	119.1037	0.063	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|C<4>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	123.6770	0.000	1	124.0302	0.196	6	124.0302	0.196	6	124.0302	0.196	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	124.4037	0.008	3	124.0302	0.196	6	124.0302	0.196	6	124.0302	0.196	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){1|H<1>,1|O<2>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	123.9120	0.000	1	124.0302	0.196	6	124.0302	0.196	6	124.0302	0.196	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|H<1>,6|C<3>}	123.3810	0.000	1	124.0302	0.196	6	124.0302	0.196	6	124.0302	0.196	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	N[6](C[6]C[6a]N[6])(C[6]C[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){4|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]S){1|C<4>,4|C<3>}	123.8600	0.290	2	123.8600	0.084	2	123.8600	0.084	2	123.0505	1.794	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	121.0840	0.000	1	121.0840	0.000	1	122.2410	2.677	2	123.0505	1.794	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]C)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	123.3980	0.000	1	123.3980	0.000	1	122.2410	2.677	2	123.0505	1.794	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-4:	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]O)(SC[6a]OO)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6]O)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|S<4>,2|H<1>,3|C<3>}	121.5115	0.675	2	121.5115	0.456	2	121.5115	0.456	2	121.5115	0.456	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	4:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3)	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6])	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CH3){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6]){1|C<4>,4|C<3>}	125.1830	0.000	1	125.1830	0.000	1	125.1830	0.000	1	125.1830	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H)	N[6](C[6]C[6a]N[6])(O[6]C[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)(H){2|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	126.3110	0.000	1	126.3110	0.000	1	126.0800	0.107	2	126.0800	0.107	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]O[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H)	N[6](C[6]C[6a]N[6])(O[6]C[6])	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){2|O<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	125.8490	0.000	1	125.8490	0.000	1	126.0800	0.107	2	126.0800	0.107	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:B[6]-4:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H)	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]N[6a])(N[6]B[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(B[6]N[6]FF)(H){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])2{1|B<4>,2|C<3>,2|H<1>,2|N<2>}	124.9195	0.040	2	124.9195	0.002	2	124.9195	0.002	2	124.9195	0.002	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:1:	3:4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:	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)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:2:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:S-4:N[6]-2:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6])	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]S)	C[6](C[6a]C[6a]2)(N[6]N[6]S)(N[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(SC[6a]OO)(N[6]C[6]){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]S){1|N<2>,1|S<4>,3|C<3>}	121.5987	2.424	3	121.5987	5.878	3	121.5987	5.878	3	121.5987	5.878	3	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-3:B[6]-4:C[6a]-3:	C[6,6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6])	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6]){1|B<4>,1|H<1>,5|C<3>}	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.6840	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	3:4:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-4:S-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6])	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]N[6]){1|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	123.1020	0.000	1	123.1020	0.000	1	123.1020	0.000	1	123.1020	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	B[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]B[6,6]H)(N[6]C[6,6]){2|H<1>,2|N<3>,4|C<3>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6a]N[6])(H){1|H<1>,7|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6a]N[6]){1|B<4>,2|H<1>,4|C<3>}	123.6790	0.560	2	123.6790	0.314	2	123.6790	0.314	2	123.0543	0.632	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])2	C[6](C[6a]C[6a]2)(N[6]B[6]H)(N[6]C[6]){1|N<3>,2|H<1>,5|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(H){8|C<3>}	N[6](C[6]C[6a]N[6])2{1|B<4>,1|H<1>,5|C<3>}	121.7870	0.000	1	121.7870	0.000	1	121.7870	0.000	1	123.0543	0.632	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|Cl<1>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	122.7850	0.066	2	123.0603	0.230	3	123.0603	0.230	3	123.0543	0.632	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6]){1|O<2>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	123.6110	0.000	1	123.0603	0.230	3	123.0603	0.230	3	123.0543	0.632	6	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]N[6])2	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6])2{1|B<4>,6|C<3>}	122.4160	0.000	1	123.0573	0.311	6	123.0573	0.311	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]N[6])2	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])2{1|B<4>,6|C<3>}	123.1058	0.558	4	123.0573	0.311	6	123.0573	0.311	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	B[6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6]C[6a]N[6])2	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,7|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	N[6](C[6]C[6a]N[6])2{1|B<4>,1|H<1>,5|C<3>}	123.5050	0.000	1	123.0573	0.311	6	123.0573	0.311	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	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>}	123.4820	0.444	2	123.5103	0.101	3	123.2335	0.189	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	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>}	123.5670	0.000	1	123.5103	0.101	3	123.2335	0.189	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){3|H<1>,7|C<3>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	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>}	122.8040	0.000	1	122.8040	0.000	1	123.2335	0.189	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	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>}	123.0330	0.498	2	123.0330	0.248	2	123.2335	0.189	6	123.1454	0.236	12	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	4:3:	N[6]-3:C[6a]-3:N[6]-2:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6,6]-4:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6])	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6]){3|Ga<4>,4|C<3>}	122.2150	0.000	1	122.2150	0.000	1	121.2715	1.780	2	121.2715	1.780	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	4:3:	N[6]-3:C[6a]-3:N[6]-2:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6,6]-4:C[6]-3:	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6])	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])	C[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)(N[6]Ga[6,6]){1|N<3>,1|O<3>,2|H<1>,3|C<4>,4|C<3>}	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6]){2|Ga<4>,5|C<3>}	120.3280	0.000	1	120.3280	0.000	1	121.2715	1.780	2	121.2715	1.780	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:4:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-2:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH)	N[6](C[6]C[6a]N[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5]C[6]H)(C[6]C[6a]N[6])(CCHH){1|Mn<8>,1|N<2>,2|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){2|C<4>,3|C<3>}	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	123.2930	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:3:2:	4:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6])	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]){1|S<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>}	124.9690	0.367	4	124.9690	0.135	4	124.9690	0.135	4	124.9690	0.135	4	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	3:4:2:	4:3:1:	3:3:	N[6]-3:C[6]-4:N[6]-2:	B[6,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6])	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H)	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6])	C[6](N[6]B[6,6]H)(C[6]C[6]2H)(N[6]C[6,6]){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[6](B[6,6]N[3x6]C[6a]N[6])(C[6]C[6]N[6])(H){2|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]N[3x6]C[6])(C[6]C[6]N[6]){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	123.7160	0.540	2	123.7160	0.292	2	123.7160	0.292	2	123.7160	0.292	2	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP2	C[6]	N[6]	N[6]	4:2:3:	3:3:1:	3:3:	C[5]-4:N[6]-2:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:	C[6](C[5]C[5]2Fe)(N[6]C[6,6a])(N[6]C[6]H)	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6])	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>}	N[6](C[6]C[5]N[6])(C[6]C[6,6a]S)(H){1|Fe<10>,2|C<3>,2|C<4>}	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>}	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.4300	0.000	1	122.3092	7.472	1071	122.4449	7.547	1175
762	856	914	6:SP2_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:2:	3:4:	C[6,6a]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-4:N[6]-2:	C[6,6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6])	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6])	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	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>}	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	124.3772	5.475	5	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	C[6,6](N[6,6]C[6]2)(N[6]C[6]H)(N[6]C[6]){2|C<4>,8|H<1>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|H<1>,6|C<4>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|H<1>,5|C<4>}	124.4000	0.000	1	124.4000	0.000	1	124.4000	0.000	1	125.8967	1.919	3	124.3772	5.475	5	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:2:	3:4:4:	3:4:	N[6]-3:N[6,6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:	C[6,6](N[6]C[6a]C[6])(N[6,6]C[6]2)(N[6]C[6])	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]N[6]2)(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	N[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	126.6450	0.692	2	126.6450	0.478	2	126.6450	0.478	2	125.8967	1.919	3	124.3772	5.475	5	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6,6]	N[6,6]	N[6]	3:3:2:	4:3:4:	3:3:	N[6,6]-3:C[6]-3:N[6]-2:	C[5,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6])	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH)	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6]O)	C[6,6](N[6,6]C[5,6,6]C[6])(C[6]N[6]C)(N[6]C[6]){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	N[6,6](C[5,6,6]C[6,6]O[5,6]O[5])(C[6,6]C[6]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6,6]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	121.4880	0.000	1	121.4880	0.000	1	121.4880	0.000	1	121.4880	0.000	1	124.3772	5.475	5	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6,6]	N[6]	3:2:4:	3:4:3:	3:3:	N[6,6]-3:N[6]-2:C-4:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6,6a])(CH3)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	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>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:1:	3:3:1:	4:3:	N[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(H)	N[6](C[6]N[6]H)2(H)	N[6](C[6]N[6]CH)(C[6]N[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(H){1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]N[6]H)2(H){1|C<4>}	N[6](C[6]N[6]CH)(C[6]N[6]H){1|C<3>,1|H<1>}	123.6530	0.344	2	123.6530	0.118	2	123.6530	0.118	2	123.6530	0.118	2	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:3:	3:3:1:	3:3:	N[6]-3:N[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:	C[6](N[6]C[6]H)(N[6]C[6])(NHH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N[6](C[6]C[6]N)(C[6]N[6]N)	C[6](N[6]C[6]H)(N[6]C[6])(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){2|C<3>}	N[6](C[6]C[6]N)(C[6]N[6]N){1|H<1>,2|C<3>}	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	121.8020	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:3:	3:3:2:	3:3:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO){4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	120.6515	0.272	2	120.6515	0.074	2	120.6515	0.074	2	120.6515	0.074	2	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:3:	4:3:3:	3:3:	N[6]-3:N[6]-2:N-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N)	N[6](C[6]N[6]N)2	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]N[6]N){2|C<4>,3|C<3>}	N[6](C[6]N[6]N)2{1|Si<4>,1|C<3>}	125.9520	0.000	1	125.9520	0.000	1	125.9520	0.000	1	125.9520	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:2:4:	4:3:3:	4:3:	N[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:	C[6](N[6]C[6]N)(N[6]C[6])(CHNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO)	N[6](C[6]N[6]HH)(C[6]N[6]C)	C[6](N[6]C[6]N)(N[6]C[6])(CHNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(NOO){1|C<4>,1|N<3>}	N[6](C[6]N[6]HH)(C[6]N[6]C){1|C<4>,2|N<3>}	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|H<1>,1|N<2>,3|C<3>}	122.0400	0.000	1	122.0400	0.000	1	121.7053	0.166	4	121.7053	0.166	4	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(N[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]N[6]){1|Cl<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	121.1350	0.000	1	121.1350	0.000	1	121.7053	0.166	4	121.7053	0.166	4	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](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]N[6]){2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|N<2>,1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	121.8230	0.184	2	121.8230	0.034	2	121.7053	0.166	4	121.7053	0.166	4	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:2:1:	3:4:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]N[6]H)(N[6]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(H)	N[6](C[6]C[6a]N[6])(C[6]C[6]CC)	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>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(H){1|C<4>,3|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6]CC){1|H<1>,1|N<2>,3|C<3>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:2:3:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6])(CNO){1|N<3>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|N<2>,4|C<3>}	118.8490	0.000	1	118.8490	0.000	1	118.8490	0.000	1	118.8490	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	C[5a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	N[6](C[6]C[5a]N[6])(S[6]C[6,6a])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	125.4510	0.000	1	125.4510	0.000	1	125.4510	0.000	1	125.4185	0.770	6	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	126.5380	0.000	1	126.5380	0.000	1	126.5380	0.000	1	125.4185	0.770	6	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[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])2(H)	N[6](C[6]C[6a]N[6])(S[6]N[6])	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>}	N[6](C[6]C[6a]N[6])2(H){1|S<2>,2|C<3>,2|N<2>}	N[6](C[6]C[6a]N[6])(S[6]N[6]){1|H<1>,1|N<2>,2|C<3>}	124.5650	0.264	2	124.5650	0.070	2	124.5650	0.070	2	125.4185	0.770	6	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]){1|H<1>,4|C<3>}	125.6960	0.956	2	125.6960	0.914	2	125.6960	0.914	2	125.4185	0.770	6	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	N[6](C[6]C[6]N[6])(N[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|N<3>}	N[6](C[6]C[6]N[6])(N[6]C[6]C){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	124.2840	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:2:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-2:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6])(N[6]C[6])	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(COO){1|N<2>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]){1|N<3>,4|C<3>}	118.5970	0.014	2	118.5970	0.000	2	118.5970	0.000	2	118.5970	0.000	2	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6])	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6](C[6a]C[6a,6a]2)(N[6]N[6]C)(N[6]N[6]){7|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	123.2890	0.000	1	123.2890	0.000	1	124.6893	6.221	3	124.6893	6.221	3	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH)	N[6](C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C)(CC[6a]CH){1|N<3>,1|O<1>,2|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	123.2100	0.000	1	123.2100	0.000	1	124.6893	6.221	3	124.6893	6.221	3	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6])	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	C[6](C[6a]C[6a]2)(N[6]N[6]C)(N[6]N[6]){1|B<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|C<4>,1|N<3>,6|C<3>}	127.5690	0.000	1	127.5690	0.000	1	124.6893	6.221	3	124.6893	6.221	3	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	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>}	123.6740	0.000	1	123.6740	0.000	1	123.9300	0.131	2	123.9300	0.131	2	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	4:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])	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>}	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	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>}	124.1860	0.000	1	124.1860	0.000	1	123.9300	0.131	2	123.9300	0.131	2	123.1443	5.432	29	123.3310	5.309	35
762	856	914	6:SP2_SP2_SP3	C[6]	N[6]	N[6]	3:3:2:	4:3:4:	3:3:	C[6a]-3:N[6]-3:N[6]-2:	C[6,6]-4:C[6]-3:S-4:	N[6]-3:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6])	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO)	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]S)(N[6]N[6]){1|C<4>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	124.7250	0.000	1	123.1443	5.432	29	123.3310	5.309	35
762	856	921	0:SP2_SP2_SP3	C[6]	N[6]	Se	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:Se-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:Cl-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	N[6](C[6]C[6]Se)(C[6]C[6]H)(O)	Se(C[6]C[6]N[6])(Cl)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	N[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	Se(C[6]C[6]N[6])(Cl)	102.0670	0.000	1	102.0670	0.000	1	102.0670	0.000	1	102.0670	0.000	1	102.0670	0.000	1	102.0670	0.000	1
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	117.5147	0.650	3	117.1571	1.661	17	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	Br(C[6]C[6]N[6])	118.0460	0.000	1	117.1571	1.661	17	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	116.8120	0.000	1	117.1571	1.661	17	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	Br(C[6]C[6]N[6])	115.7500	0.000	1	117.1571	1.661	17	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	117.1381	1.498	11	117.1571	1.661	17	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]N)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	116.1448	0.795	6	116.1448	0.632	6	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6]Br)2(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	N[6](C[6]C[6]Br)2(H){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	116.5505	0.404	2	116.5505	0.163	2	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	120.0170	0.000	1	120.0170	0.000	1	116.9868	1.768	26	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:1:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(O)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	Br(C[6]C[6]N[6])	117.5770	0.000	1	117.5770	0.000	1	117.5770	0.000	1	117.0087	1.713	27	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:3:	3:	N[6]-3:N[6]-3:Br-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(Br)	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O)	Br(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(Br){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]Br)(C[6]C[6]O){4|C<3>,4|C<4>}	Br(C[6]N[6]2)	118.5130	0.789	2	118.5130	0.623	2	118.5130	0.623	2	118.5130	0.623	2	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|Br<1>,1|C<3>,1|H<1>}	Br(C[6]C[6]N[6])	119.0803	1.600	3	119.8444	4.192	5	119.8444	4.192	5	119.8444	4.192	5	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|I<1>}	Br(C[6]C[6]N[6])	122.8970	0.000	1	119.8444	4.192	5	119.8444	4.192	5	119.8444	4.192	5	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:3:4:	3:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)	Br(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	N[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	Br(C[6]C[6]N[6])	119.0840	0.000	1	119.8444	4.192	5	119.8444	4.192	5	119.8444	4.192	5	117.6276	2.363	44	117.6276	2.363	44
762	856	924	0:SP2_SP-NON_SP2	C[6]	N[6]	Br	3:3:1:	3:4:3:	3:	N[6]-3:N[6]-3:Br-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:	C[6](N[6]C[6a]C[6])2(Br)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br)	Br(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(Br){1|C<4>,4|C<3>,4|H<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]Br){2|H<1>,3|C<3>,3|C<4>}	Br(C[6]N[6]2)	118.0130	0.439	10	118.0130	0.193	10	118.0130	0.193	10	118.0130	0.193	10	117.6276	2.363	44	117.6276	2.363	44
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	121.5260	0.000	1	121.5260	0.000	1	123.3363	2.471	3	124.2432	1.958	10	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	124.2415	0.162	2	124.2415	0.026	2	123.3363	2.471	3	124.2432	1.958	10	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[5a]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	122.5960	0.000	1	122.5960	0.000	1	122.5960	0.000	1	124.2432	1.958	10	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	124.9712	0.929	6	124.9712	0.863	6	124.9712	0.863	6	124.2432	1.958	10	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:4:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6]C[6]2H)(H)	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	122.9440	0.000	1	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	4:3:3:	4:4:3:	3:3:1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	121.8670	0.000	1	121.8670	0.000	1	121.8670	0.000	1	122.2730	3.621	3	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	4:3:3:	4:4:3:	3:3:1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[5a]-3:H-1:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	122.2730	3.621	3	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[3x6]	C	4:3:3:	4:4:3:	3:3:1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	124.3460	0.000	1	124.3460	0.000	1	124.3460	0.000	1	122.2730	3.621	3	123.7282	2.652	14	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[6,6]	C	3:4:3:	3:3:3:	3:1:1:	N[6,6]-3:C[3x6]-4:C-3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:H-1:H-1:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C(C[6,6]C[3x6]N[6,6])(H)2	126.9920	0.000	1	126.9465	0.004	2	126.9465	0.004	2	126.9465	0.004	2	126.9465	0.004	2	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6,6]	N[6,6]	C	3:4:3:	3:3:3:	3:1:1:	N[6,6]-3:C[3x6]-4:C-3:	Ge[3x6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:H-1:H-1:	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH)	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2)	C(C[6,6]C[3x6]N[6,6])(H)2	C[6,6](N[6,6]Ge[3x6]C[6a])(C[3x6]C[6,6]2H)(CHH){1|C<4>,1|N<3>,4|C<3>}	N[6,6](Ge[3x6]C[6,6]N[6,6])(C[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C(C[6,6]C[3x6]N[6,6])(H)2	126.9010	0.000	1	126.9465	0.004	2	126.9465	0.004	2	126.9465	0.004	2	126.9465	0.004	2	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[3x6]	C	3:3:3:	3:3:3:	3:4:1:	N[3x6]-3:C[6]-3:C-3:	Ge[3x6]-3:C[3x6]-3:C[6]-3:	C[6]-3:P-4:H-1:	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C)	C(C[6]N[3x6]C[6])(PCCN)(H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	N[3x6](Ge[3x6]C[4,6,6]N[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]C){1|Ge<3>,1|Si<4>,2|C<3>,2|P<4>,3|H<1>}	C(C[6]N[3x6]C[6])(PCCN)(H)	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	117.2065	12.565	2	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[3x6]	C	3:3:3:	4:4:3:	3:2:1:	N[3x6]-3:C[6]-3:C-3:	C[3x6]-4:C[3x6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO)	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C)	C(C[6]N[3x6]C[6])(OC)(O)	C[6](N[3x6]C[3x6]2)(C[6]C[6]C)(COO){2|C<3>,3|C<4>,3|H<1>}	N[3x6](C[3x6]C[5,6,6]C[6,6]H)(C[3x6]C[3x6]C[5,6]H)(C[6]C[6]C){2|C<4>,2|H<1>,6|C<3>}	C(C[6]N[3x6]C[6])(OC)(O)	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	114.7000	0.000	1	117.2065	12.565	2	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6,6]	C	3:3:3:	3:4:3:	3:3:1:	N[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]N[6,6]C[6])(CCH)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	C(C[6]N[6,6]C[6])(CCH)(H)	118.8670	0.000	1	118.8670	0.000	1	119.7977	0.718	3	119.7977	0.718	3	117.8357	9.876	6	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6,6]	C	3:3:3:	3:4:3:	3:3:1:	N[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C)	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]C){3|C<3>,4|H<1>}	C(C[6]N[6,6]C[6])(CC[6a]H)(H)	120.2630	0.369	2	120.2630	0.136	2	119.7977	0.718	3	119.7977	0.718	3	117.8357	9.876	6	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6,6]	C	3:3:3:	4:3:3:	3:2:1:	N[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]N[6,6]C[6])(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5,6]C)(COO){1|N<3>,2|H<1>,4|C<3>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]N[6,6]C[6])(OC)(O)	113.4040	0.000	1	113.4040	0.000	1	113.8555	0.408	2	113.8555	0.408	2	117.8357	9.876	6	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6,6]	C	3:3:3:	4:3:3:	3:2:1:	N[6,6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO)	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]N[6,6]C[6])(OC)(O)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	N[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]N[6,6]C[6])(OC)(O)	114.3070	0.000	1	114.3070	0.000	1	113.8555	0.408	2	113.8555	0.408	2	117.8357	9.876	6	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6,6]	C	3:4:3:	3:3:3:	3:1:1:	N[6,6]-3:C[6]-4:C-3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:I-1:	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI)	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]N[6,6]C[6])(H)(I)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]O[6]HH)(CHI){1|H<1>,3|C<3>}	N[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C(C[6]N[6,6]C[6])(H)(I)	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	119.9100	0.000	1	117.8357	9.876	6	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	2:3:3:	4:3:1:	3:3:3:	O[6]-2:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	C(C[6]N[6]O[6])(CHO)2	C[6](O[6]C[6,6a])(N[6]C[6]H)(CCC){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	C(C[6]N[6]O[6])(CHO)2	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	2:3:3:	4:3:4:	3:3:1:	S[6]-2:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:C-3:H-1:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH)	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	C(C[6]N[6]S[6])(COO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CCH){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	C(C[6]N[6]S[6])(COO)(H)	118.4690	0.000	1	118.4690	0.000	1	118.4690	0.000	1	118.9913	1.256	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	2:3:3:	4:3:4:	3:3:1:	S[6]-2:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	119.2525	1.450	2	119.2525	2.103	2	119.2525	2.103	2	118.9913	1.256	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:1:	3:1:1:	N[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(CHH)	N[6](C[6]C[6]O)(C[6]N[6]C)(H)	C(C[6]N[6]2)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(CHH){1|C<3>,1|H<1>,1|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>}	C(C[6]N[6]2)(H)2	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	117.0390	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:1:	3:2:1:	N[6]-3:N[6]-2:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]N[6]H)(N[6]C[6])(COO)	N[6](C[6]N[6]C)(N[6]C[6]H)(H)	C(C[6]N[6]2)(OC)(O)	C[6](N[6]N[6]H)(N[6]C[6])(COO){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]N[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<4>}	C(C[6]N[6]2)(OC)(O)	119.1220	0.033	2	119.1220	0.001	2	119.1220	0.001	2	119.1220	0.001	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:1:	3:3:1:	N[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CCH)	N[6](C[6]C[6]O)(C[6]S[6]C)(H)	C(C[6]N[6]S[6])(COO)(H)	C[6](N[6]C[6]H)(S[6]C[6])(CCH){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]C)(H){1|C<4>,2|H<1>}	C(C[6]N[6]S[6])(COO)(H)	121.7825	0.244	2	121.7825	0.060	2	121.7825	0.060	2	121.7825	0.060	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:2:	3:2:1:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C(C[6]N[6]2)(OC)(O)	C[6](N[6]C[6a]N[6])(N[6]N[6])(COO){4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C(C[6]N[6]2)(OC)(O)	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	122.5340	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:3:	3:3:3:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-3:C-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C(C[6]N[6]2)(CC[6a]C)(COO)	C[6](N[6]C[6a]C[6])(N[6]C[6])(CCC){1|C<4>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){3|C<3>,4|C<4>}	C(C[6]N[6]2)(CC[6a]C)(COO)	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:4:	3:3:1:	N[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:3:4:	3:4:1:	N[6]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C-4:H-1:	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO)	C(C[6]N[6]2)(CC3)(H)	C[6](N[6]C[6,6a]S)(N[6]C[6])(CCH){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(SC[6a]OO){1|H<1>,3|C<3>}	C(C[6]N[6]2)(CC3)(H)	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:2:3:	3:4:3:	3:3:1:	N[6]-3:N[6]-2:C-3:	C[6a]-3:S[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O){1|N<2>,1|N<3>,2|C<3>,2|O<1>}	N[6](C[6a]C[6a]2)(S[6]N[6]OO)(C[6]N[6]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	117.6930	0.000	1	117.6930	0.000	1	117.6930	0.000	1	117.6930	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[5a,6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C(C[6]C[5a,6]N[6])(O)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C(C[6]C[5a,6]N[6])(O)2	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:Cl-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(Cl)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(Cl)(O)	113.9290	0.000	1	113.9290	0.000	1	113.9290	0.000	1	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	N[6](C[6]C[6]C)(C[6]N[6]S)(H)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	N[6](C[6]C[6]C)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(H)2	118.1240	0.000	1	118.1240	0.000	1	118.1240	0.000	1	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]2)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	N[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	119.2420	0.000	1	119.2420	0.000	1	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	116.5816	1.237	7	116.5816	1.529	7	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]N[6]O)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	N[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(O)2	115.8520	0.000	1	115.8520	0.000	1	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	116.2720	1.763	5	116.1019	1.709	13	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	115.9956	1.058	8	116.1019	1.709	13	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(O)2	118.4130	0.436	2	118.4130	0.190	2	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C(C[6]C[6]N[6])(O)2	113.5060	0.000	1	113.5060	0.000	1	116.4329	2.337	25	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(O)2	114.4650	0.000	1	114.4650	0.000	1	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(O)2	115.8510	0.000	1	116.2102	0.323	12	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(O)2	116.3983	0.304	6	116.2102	0.323	12	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(O)2	116.8230	0.126	2	116.2102	0.323	12	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(O)2	114.8910	0.000	1	116.2102	0.323	12	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-1:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(O)2	115.8725	0.122	2	116.2102	0.323	12	116.0760	0.530	13	116.3056	1.816	41	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(NC)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CHN){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(NC)(H)	114.4910	0.033	2	114.4910	0.001	2	118.0211	2.609	16	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	119.2635	0.118	2	119.2635	0.014	2	118.0211	2.609	16	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NN)(H)	118.4024	0.923	12	118.4024	0.852	12	118.0211	2.609	16	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(COO){1|N<3>,3|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>}	C(C[6]C[6]N[6])(OC)(O)	113.4390	0.000	1	113.4390	0.000	1	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	116.7203	4.046	3	116.7203	16.374	3	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	118.3260	0.000	1	115.1078	3.655	12	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(OH)(O)	114.5810	0.000	1	115.1078	3.655	12	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	114.8387	1.790	10	115.1078	3.655	12	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OMg)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMg)(O)	116.5095	1.875	2	116.5095	3.514	2	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]P)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	N[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	118.5100	0.000	1	118.5100	0.000	1	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	115.3030	0.000	1	115.8363	9.045	7	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	115.2542	3.086	4	115.8363	9.045	7	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	117.2670	4.469	2	115.8363	9.045	7	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	114.0790	0.000	1	114.0790	0.000	1	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OBi)(O)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(OBi)(O)	118.5100	0.000	1	118.5100	0.000	1	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6])(OH)(O)	114.4990	0.000	1	114.4990	0.000	1	115.6678	5.873	29	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	120.5135	0.180	2	120.3058	0.069	4	120.3058	0.069	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	120.1240	0.000	1	120.3058	0.069	4	120.3058	0.069	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OH)(O)	120.0720	0.000	1	120.3058	0.069	4	120.3058	0.069	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(OC)(O)	113.3910	0.000	1	113.3910	0.000	1	113.3910	0.000	1	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(NN)(H)	117.8200	0.000	1	118.4875	0.891	2	118.8092	0.487	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(NN)(H)	119.1550	0.000	1	118.4875	0.891	2	118.8092	0.487	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NN)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]H)(CHN){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NN)(H)	119.1310	0.395	2	119.1310	0.156	2	118.8092	0.487	4	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,3|C<3>}	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.2000	0.000	1	113.2000	0.000	1	116.1741	4.160	11	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.6990	0.000	1	113.6990	0.000	1	116.1741	4.160	11	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	115.1685	0.227	2	115.1685	0.052	2	116.1741	4.160	11	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OH)(O)	116.2810	0.291	5	116.2810	0.085	5	116.1741	4.160	11	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OIn)(O)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OIn)(O)	119.6370	0.420	2	119.6370	0.176	2	116.1741	4.160	11	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C(C[6]C[6]N[6])(OH)(O)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OH)(O)	120.0880	0.000	1	120.0880	0.000	1	120.0880	0.000	1	116.8266	6.152	66	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CN)2	C[6](C[6]N[6]Cl)(N[6]C[6]H)(CCC){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>}	C(C[6]C[6]N[6])(CN)2	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	117.4490	2.458	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OFe)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OFe)(NN)	116.4190	1.230	2	116.4190	1.514	2	116.4190	1.514	2	117.4490	2.458	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(OMn)2	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMn)2	117.5800	0.000	1	117.5800	0.000	1	117.5800	0.000	1	117.4490	2.458	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:2:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:N-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(NC[5])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5])(NHH)	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	115.6570	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H)	C(C[6]C[6,6a]N[6])(COO)(F)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CCF){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(COO)(F)	110.6720	0.000	1	110.6720	0.000	1	110.6720	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]C)(C[6]N[6]H)(O){2|C<3>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(CCH){4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	119.4157	0.579	3	119.4157	0.336	3	119.4157	0.336	3	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(C[6]C[6]N[6])(H)	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H)	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	C[6](C[6]N[5,6]O)(N[6]C[6]H)(CC[5a]H){1|O<1>,2|C<4>}	N[6](C[6]C[5,5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[5a]C[5a,6a]C[5a])(C[6]C[6]N[6])(H)	121.5410	0.000	1	121.5410	0.000	1	121.5410	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	116.1860	0.000	1	116.1860	0.000	1	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(CHH)(H)	118.7520	0.000	1	118.7520	0.000	1	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	116.6040	0.000	1	116.6040	0.000	1	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]H)(H)	117.4517	1.926	6	117.4517	3.710	6	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]Br)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]Br)(H)	114.2340	0.000	1	114.2340	0.000	1	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	117.2555	5.298	2	117.2555	28.073	2	117.0831	5.403	12	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	126.4010	0.960	2	126.4010	0.922	2	125.9027	1.092	4	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	125.4045	1.166	2	125.4045	1.360	2	125.9027	1.092	4	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.0050	0.000	1	119.0050	0.000	1	119.0050	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	113.1517	0.385	3	113.1517	0.148	3	113.8560	0.875	6	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(NHH)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NHH)(O)	114.5603	0.743	3	114.5603	0.552	3	113.8560	0.875	6	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(N[5]C[5]2)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(O)	115.7715	1.361	2	115.7715	1.853	2	115.7715	1.853	2	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(CC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]H)(H)	117.7725	0.108	2	117.7725	0.012	2	117.7725	0.012	2	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	112.9850	0.000	1	112.9850	0.000	1	112.9850	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	119.4960	0.489	3	119.4960	0.239	3	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	116.5230	0.000	1	116.5230	0.000	1	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.1603	0.456	6	120.1603	0.208	6	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]C)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	120.5910	0.000	1	120.5910	0.000	1	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	123.0060	0.000	1	123.0060	0.000	1	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	122.9690	0.000	1	123.1690	0.080	2	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	123.3690	0.000	1	123.1690	0.080	2	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]N[6]O)(CCH){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(COO)(H)	123.9865	0.511	2	123.9865	0.261	2	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(CCO)(H)	125.2420	0.000	1	125.2420	0.000	1	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]H)(C[6]O[6]O)(CCH){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(COO)(H)	124.0760	0.000	1	124.0760	0.000	1	121.2888	5.313	18	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:S-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NC[6]H)(S)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(S)	117.9340	0.000	1	117.9340	0.000	1	117.9340	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C(C[6]N[6]2)(CC[6a]O)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[6]N[6]2)(CC[6a]O)(H)	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](N[6]C[6]H)2(CCH)	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C(C[6]N[6]2)(CCO)(H)	C[6](N[6]C[6]H)2(CCH){1|N<3>,2|O<1>}	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C(C[6]N[6]2)(CCO)(H)	122.0475	1.310	2	122.0475	1.717	2	122.0475	1.717	2	118.9376	14.563	57	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CC[6]O)(CN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6]O)(CN)	119.2550	0.000	1	119.2550	0.000	1	119.9720	1.028	2	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CHN)(CN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHN)(CN)	120.6890	0.000	1	120.6890	0.000	1	119.9720	1.028	2	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(COO)(NN)	117.9630	0.000	1	117.9630	0.000	1	117.4825	0.781	4	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CHH)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHH)(NN)	118.1470	0.000	1	118.1470	0.000	1	117.4825	0.781	4	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(COO)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(NN)	116.9100	1.007	2	116.9100	1.014	2	117.4825	0.781	4	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCH)(ONi)	126.9425	0.199	2	126.9425	0.039	2	126.9425	0.039	2	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	117.5780	0.000	1	117.5780	0.000	1	117.5780	0.000	1	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	116.8410	0.898	2	116.8410	0.806	2	116.8410	0.806	2	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Se-1:	C[6]-3:C[6a]-3:N-2:	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)2(Se)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(Se){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	112.5870	1.471	2	112.5870	2.163	2	112.5870	2.163	2	118.4764	19.473	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	120.4960	0.000	1	120.4960	0.000	1	120.4960	0.000	1	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(C[6]C[6]N[6])	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCO)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCO)2	117.0490	0.000	1	117.0490	0.000	1	118.5653	1.798	3	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]O)2	119.0520	0.000	1	119.0520	0.000	1	118.5653	1.798	3	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CCO)2	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCO)2	119.5950	0.000	1	119.5950	0.000	1	118.5653	1.798	3	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-3:	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:C-3:	C[6](N[6]C[6]H)2(CCC)	N[6](C[6]N[6]C)(C[6]N[6]O)(H)	C(C[6]N[6]2)(CCO)2	C[6](N[6]C[6]H)2(CCC){1|N<3>,2|O<1>}	N[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C(C[6]N[6]2)(CCO)2	122.0410	0.373	2	122.0410	0.139	2	122.0410	0.139	2	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]C)2(H)	C(C[6]N[6]2)(NOO)2	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	C(C[6]N[6]2)(NOO)2	119.7505	0.453	2	119.7505	0.205	2	119.7505	0.205	2	120.0492	2.297	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]O)(H)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]N[6])(CCCH)(H)	122.9365	0.900	2	122.9365	0.810	2	122.9365	0.810	2	118.5261	9.682	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CH3)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(O)	115.4215	1.225	2	115.4215	1.502	2	115.4215	1.502	2	118.5261	9.682	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(PC[6a]2Pd)(H)	116.2250	0.713	3	116.2250	0.508	3	116.2250	0.508	3	118.5261	9.682	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(CCHH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCHH)(O)	120.5240	1.294	2	120.5240	1.674	2	120.5240	1.674	2	118.5261	9.682	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[5]-4:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	N[6](C[6]C[6]C)(C[6]C[6]H)(O)	C(C[6]C[6]N[6])(C[5]C[5]2H)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[5]C[5]2H)(O)	118.8220	0.000	1	118.8220	0.000	1	118.8220	0.000	1	118.5261	9.682	10	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)(C[6]C[6]H)(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	118.2498	0.782	10	118.2498	0.611	10	118.2951	0.561	12	118.2951	0.561	12	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:2:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(H)	C(C[6]C[6]N[6])(CH3)(NN)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CH3)(NN)	118.5215	0.738	2	118.5215	0.544	2	118.2951	0.561	12	118.2951	0.561	12	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:1:	3:4:4:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC)	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C(C[6]C[6,6a]N[6])(CH3)2	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCC){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6,6a]N[6])(CH3)2	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	121.9500	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6])	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	123.2800	0.000	1	123.2800	0.000	1	123.2800	0.000	1	121.6895	5.059	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:Si[6]-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6])	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Si[6]N[6]){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	120.0990	0.000	1	120.0990	0.000	1	120.0990	0.000	1	121.6895	5.059	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe)	C(C[6]C[6]N[6])(OFe)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OFe){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OFe)(O)	121.6560	0.000	1	121.6560	0.000	1	121.5365	0.029	2	118.0090	16.885	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C(C[6]C[6]N[6])(OMn)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(OMn)(O)	121.4170	0.000	1	121.4170	0.000	1	121.5365	0.029	2	118.0090	16.885	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Ge-2:	C[6]-3:N-2:H-1:	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	N[6](C[6]C[6]C)2(GeCl)	C(C[6]C[6]N[6])(NC[5])(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(GeCl){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[5])(H)	114.4815	0.924	2	114.4815	0.854	2	114.4815	0.854	2	118.0090	16.885	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]C)(OC[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.8180	0.000	1	120.8180	0.000	1	120.8180	0.000	1	118.8986	2.347	5	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]Ni)(H)	119.3960	0.424	2	119.3960	0.180	2	119.3960	0.180	2	118.8986	2.347	5	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn)	C(C[6]C[6]N[6])(NCC)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCC)(O)	118.0670	0.000	1	118.0670	0.000	1	117.4415	0.783	2	118.8986	2.347	5	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]C[6]O)(OSn){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	116.8160	0.000	1	116.8160	0.000	1	117.4415	0.783	2	118.8986	2.347	5	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	N[6](C[6]C[6]2)(C[6]C[6]C)(C[6]N[6]O){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(H)2	119.2180	0.000	1	119.2180	0.000	1	119.2180	0.000	1	120.8678	3.431	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]O){3|C<3>,3|H<1>}	C(C[6]C[6]N[6])(H)2	119.3350	0.000	1	119.3350	0.000	1	119.3350	0.000	1	120.8678	3.431	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])2(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C(C[6]N[6]2)(H)2	C[6](N[6]C[6a]C[6])2(CHH){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C(C[6]N[6]2)(H)2	122.4590	0.399	2	122.4590	0.159	2	122.4590	0.159	2	120.8678	3.431	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N-2:H-1:	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C(C[6]C[6]N[6])(NC[6a])(H)	C[6](C[6]N[6]H)(N[6]C[6]B)(CHN){1|B<3>,1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(H)	120.4630	0.000	1	120.4630	0.000	1	120.4630	0.000	1	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]O[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]O[6]H)(N[6]C[6]C)(COO){1|C<3>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|O<2>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)2	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){6|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.2260	0.143	2	113.2260	0.020	2	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.3900	0.000	1	113.4385	0.005	2	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]N){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.4870	0.000	1	113.4385	0.005	2	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.4020	0.000	1	113.9049	1.568	7	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	112.2880	0.000	1	113.9049	1.568	7	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.3005	0.224	2	113.9049	1.568	7	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|H<1>,1|N<3>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	115.0143	1.016	3	113.9049	1.568	7	113.6966	1.031	11	114.5582	5.508	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Ga-3:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(GaCl2)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(GaCl2){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	114.0255	0.228	2	114.0255	0.052	2	113.9815	0.075	4	113.9815	0.075	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:2:4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Ga-3:	C[6]-3:N-2:C-4:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	N[6](C[6]C[6]C)2(GaII)	C(C[6]C[6]N[6])(NC[6a])(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a])(CH3)	113.9375	0.407	2	113.9375	0.165	2	113.9815	0.075	4	113.9815	0.075	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2)	C(C[6]C[6,6a]N[6])(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCH){1|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C(C[6]C[6,6a]N[6])(COO)(H)	118.1825	1.535	2	118.1825	2.357	2	118.1825	2.357	2	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH)	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC)	C(C[6]C[6,6a]N[6])(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C(C[6]C[6,6a]N[6])(CCH)(H)	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O)	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(CC[6a]O)(H)	117.1773	1.033	3	117.1773	1.066	3	117.1773	1.066	3	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	118.9620	0.000	1	118.9620	0.000	1	118.9620	0.000	1	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:B-3:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2)	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]2){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	N[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	120.0940	0.000	1	120.0940	0.000	1	120.0940	0.000	1	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:1:	N[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O-1:	C[6](N[6]C[6a]C[6])2(CC[6a]O)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6](N[6]C[6a]C[6])2(CC[6a]O){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	120.8483	3.282	4	120.8483	10.772	4	120.8483	10.772	4	119.0267	7.617	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Ga-3:	C[6]-3:C[6a]-3:N-2:	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	N[6](C[6]C[6]C)2(GaII)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(GaII){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	113.5940	1.093	4	113.5940	1.195	4	113.5940	1.195	4	113.5940	1.195	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	3:3:4:	N[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[5]-3:C-4:	C[6](N[6]C[6a]C[6])2(CP[5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	C[6](N[6]C[6a]C[6])2(CP[5]C){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C(C[6]N[6]2)(P[5]O[5]2)(CC3)	123.3785	1.671	2	123.3785	2.792	2	123.3785	2.792	2	123.3785	2.792	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:3:	5:3:4:	N[6]-3:N[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	P[5,5]-5:C[6]-3:C-4:	C[6](N[6]C[6a]C[6])2(CP[5,5]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C)	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	C[6](N[6]C[6a]C[6])2(CP[5,5]C){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]C){4|C<3>,4|C<4>}	C(P[5,5]O[5]4)(C[6]N[6]2)(CC3)	123.2785	2.152	2	123.2785	4.630	2	123.2785	4.630	2	123.2785	4.630	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<5>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){3|Ru<5>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)2	121.1640	0.000	1	121.1640	0.000	1	122.8123	1.476	4	122.3808	1.387	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]C)(N[6]C[6]C)(CHH){1|Ru<5>,1|C<4>,1|C<5>}	N[6](C[6]C[6]C)2(CH3){3|Ru<5>,1|C<4>,1|N<3>}	C(C[6]C[6]N[6])(H)2	122.6800	0.000	1	122.6800	0.000	1	122.8123	1.476	4	122.3808	1.387	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH)	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]O)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	N[6](C[6]C[6,6]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(H)2	123.7025	0.332	2	123.7025	0.110	2	122.8123	1.476	4	122.3808	1.387	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-1:O-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(O)2	C[6](C[6]C[6]H)(N[6]C[6]C)(COO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(O)2	121.5180	0.523	2	121.5180	0.274	2	121.5180	0.274	2	122.3808	1.387	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6,6a]C)(C[6]N[6]C)(CC[6a]HH){2|C<3>}	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:B-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3)	C(C[6]C[6]N[6])(CHH)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CHH)(H)	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CCH)(H)	119.1720	0.000	1	119.1720	0.000	1	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.1960	0.000	1	119.1960	0.000	1	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[5a]H)(H)	118.9120	0.218	2	118.9120	0.047	2	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	118.9382	0.973	18	118.9382	0.946	18	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)2(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	N[6](C[6]C[6]C)2(CCHH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.8140	0.545	16	119.8140	0.297	16	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.7135	0.354	2	119.7135	0.126	2	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.7890	0.642	2	119.7890	0.412	2	119.3597	0.700	42	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	126.3440	0.000	1	126.3440	0.000	1	126.3440	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:H-1:	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(NFeC)(H)	C[6](C[6]C[6]Fe)(N[6]C[6]C)(CHN){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NFeC)(H)	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO)	N[6](C[6]C[6]C)2(CH3)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO){1|C<3>,1|C<4>,1|O<2>}	N[6](C[6]C[6]C)2(CH3){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(NCH)(O)	118.7027	1.793	3	118.7027	3.214	3	118.7027	3.214	3	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:Br-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Br)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Br)	121.8080	0.000	1	121.8080	0.000	1	121.8080	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:Cl-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Cl)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(Cl)	121.1350	0.000	1	121.1350	0.000	1	121.1350	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[5]Se[5]N[5])(C[6]C[6]N[6])(H)	119.6990	0.000	1	119.6990	0.000	1	119.3715	0.215	2	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(H)	119.0440	0.000	1	119.0440	0.000	1	119.3715	0.215	2	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	120.9150	0.000	1	120.9150	0.000	1	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.3520	0.000	1	119.8545	0.410	4	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.8600	0.850	2	119.8545	0.410	4	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.3460	0.000	1	119.8545	0.410	4	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(CC[5a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[5a]H)(H)	119.9665	0.267	2	119.9665	0.071	2	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.8809	1.575	19	120.8431	2.379	20	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	120.1260	0.000	1	120.8431	2.379	20	120.6344	1.953	27	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[4a]-3:H-1:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(C[4a]C[4a]2)(H)	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	120.0056	2.283	81	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:2:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:S-2:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(SC)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(SC)	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC)	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(CC[6a]C)(COO)	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C-4:	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C(C[5]N[5]S[5])(C[6]C[6]N[6])(CC[6a]HH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){2|H<1>,3|C<3>}	C(C[5]N[5]S[5])(C[6]C[6]N[6])(CC[6a]HH)	122.3635	1.302	2	122.3635	1.695	2	122.3635	1.695	2	122.8500	0.937	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:3:4:	N[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C-4:	C[6](N[6]C[6]C)2(CC[6a]C)	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	C[6](N[6]C[6]C)2(CC[6a]C){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|C<3>,3|C<4>}	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	123.3365	0.412	2	123.3365	0.170	2	123.3365	0.170	2	122.8500	0.937	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:H-1:	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(CCCH)(H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CCH){1|O<1>,2|C<4>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]N[6])(CCCH)(H)	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:1:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	C(C[6]C[5a,6]N[6])(NHH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	C(C[6]C[5a,6]N[6])(NHH)(O)	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	118.5170	7.746	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:1:	3:3:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H)	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6])(CC[5]O)(H)	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	118.5170	7.746	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:3:	3:1:1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH)	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[5,6]O)(N[6]C[6]2)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]O)(C[6]C[6]2H)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6]N[6])(H)2	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	124.9210	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(COO){1|C<4>,1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.6640	0.000	1	113.6640	0.000	1	113.6640	0.000	1	113.6640	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	C(C[6]C[5a,6]N[6])(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[5a,6]N[6])(COO)(H)	124.8050	0.000	1	124.8050	0.000	1	124.8050	0.000	1	124.8050	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH)	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC)	C(C[6]C[6,6a]N[6])(CC[6a]C[5]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CCC){2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6])(CC[6a]C[5]H)(H)	119.2620	0.000	1	119.2620	0.000	1	119.2620	0.000	1	119.2620	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:H-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	118.5695	0.267	2	118.5695	0.071	2	118.5695	0.071	2	118.5695	0.071	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:2:2:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:C-2:	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CN)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(CN)2	121.8455	0.029	2	121.8455	0.001	2	121.8455	0.001	2	121.8455	0.001	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:2:4:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:P-2:C-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C(C[6]N[6]2)(PC[6a])(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C(C[6]N[6]2)(PC[6a])(CCHH)	118.2883	0.120	3	118.2883	0.014	3	118.2883	0.014	3	118.2883	0.014	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.7300	1.481	2	119.7300	2.192	2	119.7300	2.192	2	119.0397	2.526	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	117.6590	0.000	1	117.6590	0.000	1	117.6590	0.000	1	119.0397	2.526	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C(C[6]N[6]2)(NOO)2	C[6](N[6]C[6]H)2(CNN){1|C<3>,1|N<3>,2|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C(C[6]N[6]2)(NOO)2	124.7485	0.845	2	121.2242	5.731	8	121.2242	5.731	8	121.2242	5.731	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C(C[6]N[6]2)(NOO)2	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[6]N[6]2)(NOO)2	120.9315	1.445	2	121.2242	5.731	8	121.2242	5.731	8	121.2242	5.731	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:N-3:	C[6](N[6]C[6]H)2(CNN)	N[6](C[6]N[6]HH)(C[6]N[6]C)(H)	C(C[6]N[6]2)(NOO)2	C[6](N[6]C[6]H)2(CNN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]C)(H){1|H<1>,2|C<4>}	C(C[6]N[6]2)(NOO)2	119.6085	0.788	4	121.2242	5.731	8	121.2242	5.731	8	121.2242	5.731	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:1:	3:4:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-4:C-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]HH)(C[6]N[6]C)(H)	C(C[6]N[6]2)(CCHH)(CCC)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(H){2|C<4>,2|H<1>}	C(C[6]N[6]2)(CCHH)(CCC)	116.9975	0.306	2	116.9975	0.094	2	116.9975	0.094	2	116.9975	0.094	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[6](Ge[6]C[5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)2	123.0240	0.023	2	123.0240	0.001	2	122.9110	0.039	3	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Ge[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	N[6](Ge[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.6850	0.000	1	122.6850	0.000	1	122.9110	0.039	3	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	N[6](Si[5,6]C[5,6]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,2|H<1>,7|C<3>}	C(C[6]C[6]N[6])(H)2	122.9840	0.000	1	122.9840	0.000	1	122.6302	0.618	5	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	N[6](Si[5,6]C[5,6a]N[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,2|C<4>,7|C<3>}	C(C[6]C[6]N[6])(H)2	122.6800	0.000	1	122.6800	0.000	1	122.6302	0.618	5	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	N[6](Si[5,6]C[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,5|H<1>,6|C<3>}	C(C[6]C[6]N[6])(H)2	123.7310	0.000	1	123.7310	0.000	1	122.6302	0.618	5	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	N[6](Si[5,6]N[5,6]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,7|C<3>}	C(C[6]C[6]N[6])(H)2	121.8750	0.000	1	121.8750	0.000	1	122.6302	0.618	5	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	N[6](Si[5,6]N[5]N[6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	121.8810	0.000	1	121.8810	0.000	1	122.6302	0.618	5	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	N[6](Si[6,6]C[6]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,3|H<1>,4|C<4>,5|C<3>}	C(C[6]C[6]N[6])(H)2	122.4380	0.000	1	122.4380	0.000	1	122.4380	0.000	1	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	N[6](Si[6]C[6a]N[6]F)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	122.4490	0.000	1	122.4490	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](Si[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	122.4510	0.000	1	122.4510	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	N[6](Si[6]C[6a]N[6]N)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,5|C<3>}	C(C[6]C[6]N[6])(H)2	122.5895	0.579	2	122.5895	0.335	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	121.5900	0.000	1	122.0070	0.348	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	N[6](Si[6]N[6]2O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	122.4240	0.000	1	122.0070	0.348	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	N[6](Si[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C(C[6]C[6]N[6])(H)2	121.8040	0.000	1	121.8040	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	N[6](Si[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	121.8205	1.070	2	121.8205	1.145	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](Si[6]N[6]BrC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	121.1330	0.000	1	121.1330	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	N[6](Si[6]N[6]BrN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.7830	0.139	2	122.7830	0.019	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[6](Si[6]N[6]CH)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	121.8020	0.055	2	121.8020	0.003	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	N[6](Si[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.0660	0.000	1	122.0660	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](Si[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.3460	0.000	1	122.3460	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	N[6](Si[6]N[6]ClP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.5900	0.000	1	122.5900	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	N[6](Si[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	121.5380	0.000	1	121.5380	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[6](Si[6]N[6]HN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	120.2895	0.262	2	120.2895	0.069	2	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[6](Si[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.3997	0.930	3	122.3997	0.864	3	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	N[6](Si[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	123.3630	0.000	1	123.3630	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	N[6](Si[6]N[6]PP)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	122.6870	0.000	1	122.6870	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	N[6](Si[6]N[6]SiO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	121.8640	0.000	1	121.8640	0.000	1	122.0797	0.644	26	122.2399	0.632	35	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O-2:O-1:	C[6](C[6]N[6]H)(N[6]C[6]C)(COO)	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]N[6]H)(N[6]C[6]C)(COO){2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(COO){1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	115.4640	2.901	15	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C(C[6]C[6]N[6])(OC)(O)	115.3130	0.000	1	115.3130	0.000	1	115.3130	0.000	1	115.4640	2.901	15	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(COO){1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C(C[6]C[6]N[6])(OC)(O)	115.0600	0.879	13	115.0600	0.773	13	115.0600	0.773	13	115.4640	2.901	15	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C-3:H-1:	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	C(C[6]C[6]N[6])(CCH)(H)	C[6](C[6]C[6,6a]H)(N[6]C[6]C)(CCH){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	119.0006	11.339	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	125.6050	0.000	1	125.6050	0.000	1	125.6050	0.000	1	119.0006	11.339	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	115.5315	1.522	2	115.5315	2.318	2	115.5315	2.318	2	119.0006	11.339	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	B[6]-4:C[6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H)	C(C[6]C[6]N[6])(CHH)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	N[6](B[6]C[6,6a]C[5,6]H)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C(C[6]C[6]N[6])(CHH)(H)	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	119.0006	11.339	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:3:	3:3:1:	N[6]-3:C[6]-3:C-3:	C[3]-4:C[6]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	N[6](C[3]C[3]2H)(C[6]C[6]C)2	C(C[6]C[6]N[6])(NCH)(O)	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	N[6](C[3]C[3]2H)(C[6]C[6]C)2{1|C<3>,1|O<2>,5|H<1>}	C(C[6]C[6]N[6])(NCH)(O)	118.2687	0.372	3	118.2687	0.139	3	118.2687	0.139	3	119.0006	11.339	8	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:1:1:	C[6,6a]-3:N[6]-3:C-3:	Si[6]-4:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH)	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH)	C(C[6]C[6,6a]N[6])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Si[6]C)(CHH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[6](Si[6]Si[5]O[6]C)(C[6]C[6,6a]C)(CC[6a]HH){1|C<4>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]N[6])(H)2	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	123.0820	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	115.3885	0.281	2	115.3885	0.079	2	115.3885	0.079	2	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|C<4>,2|H<1>,2|O<2>}	N[6](C[6]C[6]OO)(C[6]C[6]C)(SCOO){2|C<4>,2|O<2>}	C(C[6]C[6]N[6])(OC)(O)	116.7310	0.000	1	116.7310	0.000	1	115.8595	1.519	2	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	C(C[6]C[6]N[6])(OC)(O)	114.9880	0.000	1	114.9880	0.000	1	115.8595	1.519	2	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6])(O)	117.9930	0.287	2	117.9930	0.082	2	118.2710	0.273	3	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(O)	118.8270	0.000	1	118.8270	0.000	1	118.2710	0.273	3	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCCH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	118.7470	0.000	1	118.7470	0.000	1	118.1940	1.255	5	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	118.8055	0.159	2	118.8055	0.025	2	118.1940	1.255	5	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	116.2190	0.000	1	116.2190	0.000	1	118.1940	1.255	5	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	118.3930	0.000	1	118.3930	0.000	1	118.1940	1.255	5	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:S-4:	C[6]-3:O-2:O-1:	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO)	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(COO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	117.9640	0.000	1	117.9640	0.000	1	117.9640	0.000	1	117.4033	2.146	13	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(ORu)(OC)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(OC)	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	116.6160	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:4:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-2:C-4:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(C[6]N[6]2)(PC[6a])(CCHH)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCP){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C(C[6]N[6]2)(PC[6a])(CCHH)	119.7720	0.494	3	119.7720	0.244	3	119.7720	0.244	3	119.7720	0.244	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	125.2130	0.000	1	125.2130	0.000	1	125.2130	0.000	1	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	114.0594	0.268	5	115.9174	7.111	8	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	119.0140	1.316	3	115.9174	7.111	8	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	113.9190	0.327	2	113.9190	0.107	2	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NCH)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NCH)(O)	117.6060	0.457	2	117.6060	0.209	2	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[5a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[5a]H)(O)	118.1680	0.000	1	118.1680	0.000	1	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	114.2096	0.444	12	114.7797	2.269	14	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	118.2005	0.168	2	114.7797	2.269	14	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	113.0025	0.124	2	117.0214	5.273	9	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	118.1697	0.326	7	117.0214	5.273	9	115.7963	4.831	36	116.1901	7.640	38	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	116.9090	7.865	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(OCo)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(OCo)	114.9260	0.000	1	114.9260	0.000	1	114.9260	0.000	1	116.9090	7.865	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:4:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:P-3:C-4:	C[6](N[6]C[6]Pd)(N[6]C[6]C)(CCP)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(C[6]N[6]2)(PC[6a]Pd)(CCHH)	C[6](N[6]C[6]Pd)(N[6]C[6]C)(CCP){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|Pd<4>,1|C<4>,2|H<1>}	C(C[6]N[6]2)(PC[6a]Pd)(CCHH)	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(SiC3)(H)	120.4880	0.419	2	120.4880	0.175	2	120.4880	0.175	2	120.4880	0.175	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:4:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(CH3)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]N[6])(CH3)(OH)	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	118.7360	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:3:4:	3:4:3:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:C-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC)	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH)	C(C[6]N[6]2)(CCHH)(CCC)	C[6](N[6]C[6]C)(N[6]C[6]H)(CCC){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]C)(CCHH){1|C<4>,3|H<1>}	C(C[6]N[6]2)(CCHH)(CCC)	120.3150	0.253	2	120.3150	0.064	2	120.3150	0.064	2	120.3150	0.064	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	4:4:3:	3:3:1:	N[6]-3:N[6]-3:C-3:	C[6]-4:C[3]-4:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH)	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	C(C[6]N[6]2)(CC[6a]O)(H)	C[6](N[6]C[3]C[6])(N[6]C[6,6a]H)(CCH){2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	C(C[6]N[6]2)(CC[6a]O)(H)	123.4420	0.000	1	123.4420	0.000	1	123.4420	0.000	1	123.4420	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	5:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[3,6]-5:C[6a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C(C[6]C[6]N[6])(H)2	123.2590	0.000	1	123.2590	0.000	1	123.2590	0.000	1	122.1275	2.561	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:3:3:	5:3:3:	3:1:1:	N[6]-3:C[6]-3:C-3:	Si[6]-5:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(H)2	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	N[6](Si[6]N[6]BrLiN)(C[6]C[6]2)(C[6]C[6]C){1|Li<5>,1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]N[6])(H)2	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	122.1275	2.561	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:C-3:	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	C[6](N[6]C[6,6a]H)(C[6]S[6]HH)(CC[5a]C){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(C[5a]C[5a]2)(COO)	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:2:	3:1:1:	N[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:Ge[6]-2:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6])	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]Ge[6])(C[6]C[6]CH)(CHH){1|H<1>,1|O<2>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(Ge[6]O[6]){1|H<1>,3|C<3>,3|C<4>}	C(C[6]C[6]N[6])(H)2	126.2770	0.000	1	126.2770	0.000	1	126.2770	0.000	1	126.2770	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CHH){1|O<1>,2|C<3>,3|C<4>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6]N[6])(H)2	121.7780	0.000	1	121.7780	0.000	1	122.5775	1.278	2	122.5775	1.278	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:3:	3:1:1:	N[6]-3:C[6]-4:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C(C[6]C[6]N[6])(H)2	C[6](N[6]C[6a]C[6])(C[6]O[6]HH)(CHH){1|C<4>,1|O<1>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6]N[6])(H)2	123.3770	0.000	1	123.3770	0.000	1	122.5775	1.278	2	122.5775	1.278	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-4:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH)	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C(C[6]C[6]N[6])(CCH)(H)	C[6](N[6]C[6a]C[6])(C[6]N[6]CH)(CCH){1|S<4>,4|C<3>}	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,4|H<1>,5|C<3>}	C(C[6]C[6]N[6])(CCH)(H)	125.9150	0.000	1	125.9150	0.000	1	125.9150	0.000	1	125.9150	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	3:4:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.3386	0.581	5	118.3386	0.337	5	118.3386	0.337	5	118.3386	0.337	5	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:2:1:	3:3:2:	C[6]-4:N[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C-3:O-2:	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO)	N[6](C[6]C[6]C)(N[6]C[6])(H)	C(C[6]C[6]N[6])(COO)(OC)	C[6](C[6]C[6]HH)(N[6]N[6]H)(CCO){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6])(COO)(OC)	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:2:2:	3:1:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:O[6]-2:O-2:	C[6]-3:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH)	N[6](C[6]C[6]C)(O[6]C[6])(OSi)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6a]C[6]H)(N[6]O[6]O)(CHH){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6]C)(O[6]C[6])(OSi){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6])(H)2	122.4090	0.000	2	122.4090	0.000	2	122.4090	0.000	2	122.4090	0.000	2	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:1:	3:1:1:	C[5,6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C(C[6]C[5,6]N[6])(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,6]N[6])(H)2	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){1|C<4>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(H)	122.5070	0.000	1	121.9967	0.275	6	121.9967	0.275	6	121.9967	0.275	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(COO)(H)	C[6](C[6]C[5]S[6]H)(N[6]C[6,6a]H)(CCH){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6])(COO)(H)	121.8946	0.516	5	121.9967	0.275	6	121.9967	0.275	6	121.9967	0.275	6	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:H-1:	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C(C[6]C[5,6]N[6])(CH3)(H)	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[5,6]N[6])(CH3)(H)	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:4:	3:1:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]CC)(N[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	N[6](C[6]C[6]C)(C[6]O[6]O)(CCCH){3|C<4>}	C(C[6]C[6]N[6])(H)2	121.2310	0.000	1	121.2310	0.000	1	123.3540	2.420	4	123.3540	2.420	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:4:	3:1:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]C[6]HO)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]N[6])(H)2	123.4950	0.000	1	123.4950	0.000	1	123.3540	2.420	4	123.3540	2.420	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:4:	3:1:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHH){1|C<4>,1|O<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]N[6])(H)2	124.3450	0.877	2	124.3450	0.769	2	123.3540	2.420	4	123.3540	2.420	4	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:C-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C(C[6]C[6,6]N[6])(COO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6]N[6])(COO)(H)	120.2195	1.983	2	120.2195	3.934	2	120.2195	3.934	2	120.9993	3.791	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<2>,1|S<4>,2|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	120.9993	3.791	3	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:N[6]-3:C-3:	C[6]-3:C[6]-4:S-4:	C[6]-3:C-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO)	C(C[6]C[5,6]N[6])(CCHH)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	N[6](C[6]C[5,6]C)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C(C[6]C[5,6]N[6])(CCHH)(H)	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	117.0430	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	4:3:1:	3:2:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:O-2:O-1:	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO)	N[6](C[6]O[6]HH)(C[6]C[6]C)(O)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6]HO)(N[6]C[6]O)(COO){1|O<2>,2|C<4>,2|H<1>}	N[6](C[6]O[6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]N[6])(OC)(O)	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	4:3:1:	3:3:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(CC[6a]O)(H)	C[6](C[6]C[6]HH)(N[6]C[6]H)(CCH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6])(CC[6a]O)(H)	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	121.3310	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP2	C[6]	N[6]	C	4:3:3:	4:3:4:	3:1:1:	C[6]-4:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(H)2	C[6](C[6]N[6]HH)(N[6]C[6]S)(CHH){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]N[6])(H)2	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	118.7500	10.240	559	118.8830	10.810	583
762	856	930	0:SP2_SP2_SP3	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]N)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|N<2>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	122.9830	0.000	1	122.9830	0.000	1	124.0231	0.525	7	124.4862	0.686	12	123.6912	3.251	15	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[5a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]N[3x6])(H)	124.1965	0.615	6	124.1965	0.378	6	124.0231	0.525	7	124.4862	0.686	12	123.6912	3.251	15	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6,6]	N[3x6]	C	3:3:3:	4:4:3:	3:3:1:	C[6,6]-3:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6a]-3:H-1:	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<1>,4|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	125.1344	0.446	5	125.1344	0.199	5	125.1344	0.199	5	124.4862	0.686	12	123.6912	3.251	15	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6,6]	N[3x6]	C	4:3:3:	4:4:3:	3:3:1:	C[6,6]-4:N[3x6]-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[5a]-3:H-1:	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H)	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C)	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[5a]H){2|C<4>,5|H<1>}	N[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]C){1|C<4>,1|O<2>,5|H<1>}	C(C[6,6]C[6,6]N[3x6])(C[5a]C[5a]S[5a])(H)	120.5113	0.161	3	120.5113	0.026	3	120.5113	0.026	3	120.5113	0.026	3	123.6912	3.251	15	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	2:3:3:	4:3:4:	3:3:1:	S[6]-2:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3)	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]C)(CH3){2|C<3>}	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	118.3333	0.138	3	118.3333	0.019	3	118.3333	0.019	3	118.7930	0.858	4	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	2:3:3:	4:3:4:	3:3:1:	Se[6]-2:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:H-1:	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3)	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]Se[6]C)(CH3){2|C<3>}	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	120.1720	0.000	1	120.1720	0.000	1	120.1720	0.000	1	118.7930	0.858	4	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	2:3:3:	4:3:4:	3:4:1:	S[6]-2:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:S-4:H-1:	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	C(C[6]N[6]S[6])(SC[6a]OO)(H)	C[6](S[6]C[6,6a])(N[6]C[6]S)(CHS){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	C(C[6]N[6]S[6])(SC[6a]OO)(H)	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:2:3:	3:3:2:	3:4:1:	N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C-4:O-1:	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C(C[6]N[6]2)(CH3)(O)	C[6](N[6]C[6a]N[6])(N[6]N[6])(CCO){4|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C(C[6]N[6]2)(CH3)(O)	122.8865	0.008	2	122.8865	0.000	2	122.8865	0.000	2	122.8865	0.000	2	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:2:3:	3:3:4:	3:3:1:	N[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:S-4:	C[6a]-3:C[6]-3:H-1:	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO)	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	N[6](C[6]C[6]H)(C[6]O[6]C)(SC[6a]OO){1|C<4>,1|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.7575	0.515	4	119.7575	0.265	4	119.7575	0.265	4	118.8429	1.622	7	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:1:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:H-1:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	117.6233	0.750	3	117.6233	0.563	3	117.6233	0.563	3	118.8429	1.622	7	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(O)	114.0720	0.000	1	114.0720	0.000	1	117.3123	5.047	4	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6])(O)	119.1610	0.000	1	119.1610	0.000	1	117.3123	5.047	4	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a])(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a])(O)	118.0080	0.506	2	118.0080	0.256	2	117.3123	5.047	4	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	118.7862	0.344	6	118.7862	0.118	6	118.2056	3.602	9	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	119.3970	0.000	1	119.3970	0.000	1	118.2056	3.602	9	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(OC)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OC)(O)	113.2360	0.000	1	113.2360	0.000	1	118.2056	3.602	9	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(OH)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(OH)(O)	118.5000	0.000	1	118.5000	0.000	1	118.2056	3.602	9	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:1:	N[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:S-4:	C[6]-3:O-2:O-1:	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(SC[6a]OO){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6])(OC)(O)	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1	117.7550	3.984	14	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6])(ORu)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6])(ORu)	115.3350	0.000	1	115.3350	0.000	1	115.3350	0.000	1	116.7080	1.598	3	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(ORu)(OC)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(OC)	117.8240	0.000	1	117.8240	0.000	1	117.3945	0.369	2	116.7080	1.598	3	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:2:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:O-2:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]N[6])(ORu)(OC)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(COO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(ORu)(OC)	116.9650	0.000	1	116.9650	0.000	1	117.3945	0.369	2	116.7080	1.598	3	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:C-3:H-1:	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]N[6]H)(N[6]C[6]S)(CCH){1|C<4>,1|S<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|N<3>,3|H<1>}	C(C[6]C[6]N[6])(CC[6a]H)(H)	119.7770	0.000	1	119.7770	0.000	1	119.7770	0.000	1	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	120.5992	0.530	4	120.5992	0.281	4	119.9698	0.583	8	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CC[6a]HH){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.2830	0.125	3	119.2830	0.016	3	119.9698	0.583	8	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	119.5120	0.000	1	119.5120	0.000	1	119.9698	0.583	8	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[5a,6]O)(N[6]S[6]C)(CNO){1|C<3>,1|S<2>,2|O<1>}	N[6](S[6]C[5a,6]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	114.1030	0.701	2	114.1030	0.492	2	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[5]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[5]H)(O)	116.8760	0.000	1	116.8760	0.000	1	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[5a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[5a]H)(O)	117.6862	0.415	9	117.6862	0.172	9	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	114.7999	0.566	11	115.0938	1.327	12	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6]H)(O)	118.3260	0.000	1	115.0938	1.327	12	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	114.9910	0.000	1	118.0757	0.943	15	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NC[6a]H)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	118.2960	0.481	14	118.0757	0.943	15	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:N-3:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(NHN)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CNO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(NHN)(O)	117.8710	0.000	1	117.8710	0.000	1	116.8597	2.862	40	117.4270	3.872	49	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:3:2:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:O-2:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-3:Si-4:H-1:	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(SiC3)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|H<1>,2|C<3>}	C(C[6]C[6]N[6])(SiC3)(H)	118.7095	0.245	2	118.7095	0.060	2	118.7095	0.060	2	118.7767	0.044	3	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:3:3:	4:3:4:	3:4:1:	C[6]-3:N[6]-3:C-3:	S[6]-4:C[6]-3:C-4:	C[6]-3:C-4:O-1:	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO)	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3)	C(C[6]C[6]N[6])(CH3)(O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CCO){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]C[6]C)(CH3){1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(CH3)(O)	118.9110	0.000	1	118.9110	0.000	1	118.9110	0.000	1	118.7767	0.044	3	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:4:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:H-1:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	3:4:3:	3:3:4:	3:3:4:	N[6]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6a]-3:P[6]-4:	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6]){1|C<4>,1|O<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	118.5990	0.069	2	118.5990	0.005	2	118.5990	0.005	2	118.5990	0.005	2	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	4:3:3:	3:3:4:	3:1:1:	C[3,6]-4:N[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:H-1:H-1:	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO)	C(C[6]C[3,6]N[6])(H)2	C[6](C[3,6]C[3,6]C[3]H)(N[6]C[6,6a]S)(CHH){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]N[6])(H)2	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	120.7560	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	930	0:SP2_SP2_SP3	C[6]	N[6]	C	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:N[6]-3:C-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:C-3:H-1:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH)	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO)	C(C[6]C[6,6]N[6])(COO)(H)	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6]S)(CCH){2|H<1>,3|C<3>}	N[6](C[6]C[6,6]C)(C[6]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6,6]N[6])(COO)(H)	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	118.0894	4.986	90	118.8896	8.584	105
762	856	940	0:SP2_SP-NON_SP2	C[6]	N[6]	P	3:3:2:	3:3:3:	3:3:	N[6]-3:N[6]-3:P-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])2(PC[6a])	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P)	P(C[6a]C[6a]2)(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(PC[6a]){1|C<4>,2|O<1>,4|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]N[6]P){4|C<3>,4|C<4>}	P(C[6a]C[6a]2)(C[6]N[6]2)	122.9200	11.548	2	122.9200	133.367	2	122.9200	133.367	2	122.9200	133.367	2	122.9200	133.367	2	122.9200	133.367	2
762	856	941	0:SP2_SP2_SP2	C[6,6]	N[6,6]	N	4:3:2:	4:3:1:	3:4:	C[3x6]-4:N[6,6]-3:N-2:	C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[5]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5])	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H)	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]H)(NC[5]){2|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]N)(H){2|C<4>,5|H<1>}	N(C[6,6]C[3x6]N[6,6])(C[5]C[5]2H)	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	125.2020	0.000	1	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6,6]	N	3:3:2:	3:3:3:	3:1:	N[6,6]-3:C[6]-3:N-2:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	C[6]-3:H-1:	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N(C[6]N[6,6]C[6])(H)	119.0763	0.458	3	119.0763	0.209	3	119.0763	0.209	3	119.0763	0.209	3	118.3407	0.777	6	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6,6]	N	3:3:2:	3:4:3:	3:1:	N[6,6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N)	N(C[6]N[6,6]C[6])(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]N){2|C<2>,2|H<1>,3|C<3>}	N(C[6]N[6,6]C[6])(H)	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	117.9420	0.000	1	118.3407	0.777	6	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6,6]	N	3:4:2:	3:3:3:	3:3:	N[6,6]-3:C[6]-4:N-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[5]N[6]H)(NC[6a]){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]N){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	118.3407	0.777	6	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6,6]	N	3:4:2:	3:4:3:	3:3:	N[6,6]-3:C[6]-4:N-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a])	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HN)(NC[6a]){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	118.3407	0.777	6	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	2:3:2:	3:3:4:	3:3:	O[6]-2:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a])	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6a])(N[6]C[6]C)(NC[6a]){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]O[6]N)(CC[6a]HH){2|C<3>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	2:3:2:	4:3:1:	3:3:	O[6]-2:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]HH)(C[6]O[6]N)(H)	N(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6](O[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]O[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]O[6])(C[6a]C[6a]2)	119.9980	0.000	1	119.9980	0.000	1	119.9980	0.000	1	120.4926	13.546	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	2:3:2:	4:3:1:	3:3:	S[6]-2:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-3:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(CC[6a]O)	126.9500	0.000	1	126.9500	0.000	1	126.9500	0.000	1	120.4926	13.546	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	2:3:2:	4:3:1:	3:3:	S[6]-2:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](S[6]C[6,6])(N[6]C[6]H)(NC[6a]){2|H<1>,3|C<4>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	118.5050	0.442	3	118.5050	0.196	3	118.5050	0.196	3	120.4926	13.546	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	2:3:2:	4:3:4:	3:3:	S[6]-2:N[6]-3:N-2:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	119.0530	0.038	2	119.0530	0.001	2	119.0530	0.001	2	119.0530	0.001	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:2:1:	3:2:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-2:	C[6](N[6]N[6]H)(S[6]C[6])(NN)	N[6](C[6]S[6]N)(N[6]C[6])(H)	N(C[6]N[6]S[6])(NC)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N(C[6]N[6]S[6])(NC)	117.7953	0.352	3	117.7953	0.124	3	117.7953	0.124	3	117.7953	0.124	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:2:1:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:C-3:	C[6](N[6]N[6]H)(S[6]C[6])(NC)	N[6](C[6]S[6]N)(N[6]C[6])(H)	N(C[6]N[6]S[6])(CCO)	C[6](N[6]N[6]H)(S[6]C[6])(NC){1|C<3>,2|H<1>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N(C[6]N[6]S[6])(CCO)	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	116.4880	0.659	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:2:1:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	C[6a]-3:C[6]-3:	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a])	N[6](C[6]S[6]N)(N[6]C[6])(H)	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	C[6](N[6]N[6]H)(S[6]C[6])(NC[6a]){1|C<3>,2|H<1>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N(C[6a]C[6a]N[6a])(C[6]N[6]S[6])	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	116.4880	0.659	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(H)	119.4500	0.000	1	119.4500	0.000	1	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(H)	119.3015	0.692	2	119.3015	0.479	2	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<3>,2|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(H)	115.7330	0.000	2	115.7330	0.000	2	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,1|N<2>,1|N<3>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N(C[6]N[6]2)(H)	118.4820	0.000	1	118.6790	0.078	2	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]C)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,2|N<2>}	N[6](C[6]N[6]C)(C[6]N[6]N)(H){1|C<3>}	N(C[6]N[6]2)(H)	118.8760	0.000	1	118.6790	0.078	2	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N(C[6]N[6]2)(H)	116.9220	0.000	1	117.7740	0.858	3	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){3|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N(C[6]N[6]2)(H)	118.2000	0.792	2	117.7740	0.858	3	118.0199	2.124	10	118.0199	2.124	10	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:2:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(CN)	115.3200	0.000	1	115.3200	0.000	1	115.1428	1.170	5	115.1428	1.170	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:2:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){1|N<3>,2|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(CN)	114.0675	0.122	2	115.0985	1.546	4	115.1428	1.170	5	115.1428	1.170	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:2:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]H)(N[6]C[6])(NC)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)(N[6]C[6])(NC){3|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>}	N(C[6]N[6]2)(CN)	116.1295	0.610	2	115.0985	1.546	4	115.1428	1.170	5	115.1428	1.170	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:3:	N[6]-3:S[6]-2:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-3:	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6,6a]H)(S[6]C[6])(NC){1|N<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	N(C[6]N[6]S[6])(CC[6a]O)	116.6670	0.000	1	116.6670	0.000	1	116.6670	0.000	1	117.2125	0.595	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a])	N[6](C[6]C[6]O)(C[6]S[6]N)(H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]){1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[6]O)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	117.2125	0.595	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:N-2:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:P-4:	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP)	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H)	N(C[6]N[6]2)(PCl3)	C[6](N[6]C[6,6]H)(N[6]C[6,6a])(NP){1|N<3>,2|N<2>}	N[6](C[6,6]N[6,6,6a]N[6])(C[6]N[6]N)(H){3|C<3>}	N(C[6]N[6]2)(PCl3)	114.6100	0.000	1	114.6100	0.000	1	114.6100	0.000	1	114.5369	1.016	27	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N(C[6]N[6]2)(CCCH)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	N(C[6]N[6]2)(CCCH)	117.4910	0.000	1	117.4910	0.000	1	116.6377	0.640	3	114.5369	1.016	27	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C-4:	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N(C[6]N[6]2)(CC[6]CH)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NC){2|C<3>,2|O<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	N(C[6]N[6]2)(CC[6]CH)	116.2110	0.433	2	116.2110	0.187	2	116.6377	0.640	3	114.5369	1.016	27	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]C)(C[6]N[6]N)(H)	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|C<4>}	N[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(SC[6a]OO)	114.1121	0.829	13	114.1121	0.688	13	114.2597	0.461	23	114.5369	1.016	27	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:1:	3:4:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](N[6]C[6]H)(N[6]C[6])(NS)	N[6](C[6]C[6]H)(C[6]N[6]N)(H)	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[6]H)(N[6]C[6])(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(SC[6a]OO)	114.4515	0.369	10	114.4515	0.136	10	114.2597	0.461	23	114.5369	1.016	27	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a])	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N)	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[5,6])(NC[6a]){1|S<1>,2|C<3>,2|N<3>}	N[6](C[6]N[5,6]S)(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)	117.0750	0.000	2	117.0750	0.000	2	117.0750	0.000	2	116.4387	0.645	4	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)	115.4050	0.000	1	115.8025	0.316	2	115.8025	0.316	2	116.4387	0.645	4	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:3:	N[6]-3:N[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a])	N[6](C[6a]C[6a]2)(C[6]N[6]N)2	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6])(NC[6a]){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]N[6]N)2{2|H<1>,3|C<3>}	N(C[6a]C[6a]2)(C[6]N[6]2)	116.2000	0.000	1	115.8025	0.316	2	115.8025	0.316	2	116.4387	0.645	4	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	N(C[6]N[6]S[6])(CCCH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6]N[6]S[6])(CCCH)	119.3210	0.000	1	119.3210	0.000	1	118.7427	1.609	3	118.7427	1.609	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	N(C[6]N[6]S[6])(CCHH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6]N[6]S[6])(CCHH)	119.6190	0.000	1	119.6190	0.000	1	118.7427	1.609	3	118.7427	1.609	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	3:3:3:	3:4:	N[6]-3:S[6]-2:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C-4:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N)	N(C[6]N[6]S[6])(CC[6a]HH)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]O)(C[6]S[6]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6]N[6]S[6])(CC[6a]HH)	117.2880	0.000	1	117.2880	0.000	1	118.7427	1.609	3	118.7427	1.609	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	4:3:1:	3:1:	N[6]-3:N[6]-2:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)(N[6]C[6])(NH)	N[6](C[6]C[6]HH)(C[6]N[6]N)(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)(N[6]C[6])(NH){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]2)(H)	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	4:3:1:	3:2:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]H)(S[6]C[6])(NC)	N[6](C[6]C[6]HH)(C[6]S[6]N)(H)	N(C[6]N[6]S[6])(CN)	C[6](N[6]C[6]H)(S[6]C[6])(NC){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]S[6]N)(H){1|C<4>,2|H<1>}	N(C[6]N[6]S[6])(CN)	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:2:2:	4:3:3:	3:3:	N[6]-3:S[6]-2:N-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C-3:	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	N(C[6]N[6]S[6])(CC[6a]O)	C[6](N[6]C[6a]C[6])(S[6]C[6])(NC){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	N(C[6]N[6]S[6])(CC[6a]O)	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:2:1:	3:2:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N[6](C[6]C[6,6a]N)(N[6]C[6])(H)	N(C[6]C[6,6a]N[6])(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(N[6]C[6])(H){1|H<1>,2|C<3>}	N(C[6]C[6,6a]N[6])(NC)	123.8568	0.897	13	123.8568	0.804	13	123.8568	0.804	13	123.8568	0.804	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:2:1:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,2|N<3>}	N(C[6]C[5a,6]N[6])(NOO)	130.7200	0.000	1	130.3815	0.229	2	130.3815	0.229	2	130.3815	0.229	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:2:1:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	N(C[6]C[5a,6]N[6])(NOO)	130.0430	0.000	1	130.3815	0.229	2	130.3815	0.229	2	130.3815	0.229	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:2:4:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3)	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3){1|N<2>,2|C<3>}	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	N(C[6]C[5a,6]N[6])(H)	119.4540	0.956	2	119.4540	0.914	2	119.4540	0.914	2	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Br<1>,1|C<3>}	N(C[6]C[6]N[6])(H)	118.4160	0.000	1	118.4160	0.000	1	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)	117.1895	0.800	2	117.1895	0.640	2	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){2|Cl<1>,1|C<3>}	N(C[6]C[6]N[6])(H)	119.4180	0.000	1	119.4180	0.000	1	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	118.6180	0.000	1	118.8656	0.490	5	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)	119.4895	0.640	2	118.8656	0.490	5	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	118.3655	0.460	2	118.8656	0.490	5	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)(C[6]N[6]N)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	N[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	116.7040	0.000	1	116.7040	0.000	1	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(H)	118.9470	0.000	1	118.9075	0.165	4	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	118.8943	0.496	3	118.9075	0.165	4	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)(C[6]N[6]S)(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	N[6](C[6]C[6]N)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	119.0053	0.755	3	119.0053	0.570	3	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|Br<1>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)	116.7060	0.738	2	117.2916	0.416	7	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	117.8930	0.505	2	117.2916	0.416	7	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	117.2810	0.380	3	117.2916	0.416	7	118.2055	1.064	24	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:1:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:H-1:	C[6](N[6]C[6]H)2(NH)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(H)	C[6](N[6]C[6]H)2(NH){1|N<2>,2|N<3>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(H)	121.0780	0.939	2	121.0780	0.882	2	121.0780	0.882	2	118.4999	1.610	28	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[5,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N(C[6]C[5,6]N[6])(OC)	125.1077	0.641	4	123.9826	2.246	8	123.9826	2.246	8	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[5,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO)	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	N(C[6]C[5,6]N[6])(OC)	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]H)(NO){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N(C[6]C[5,6]N[6])(OC)	122.8575	1.206	4	123.9826	2.246	8	123.9826	2.246	8	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[5a,6]-3:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	N(C[6]C[5a,6]N[6])(NC)	123.5520	0.573	3	123.5520	0.328	3	124.2172	1.989	4	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[5a,6]-3:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	N(C[6]C[5a,6]N[6])(NC)	126.2130	0.000	1	126.2130	0.000	1	124.2172	1.989	4	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	N(C[6]C[5a,6]N[6])(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	N(C[6]C[5a,6]N[6])(OC)	127.9410	0.000	1	127.9410	0.000	1	127.9410	0.000	1	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-2:	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(NRe)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NRe)	114.1955	0.374	2	114.1955	0.140	2	114.1955	0.140	2	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]N[6]N)(NO){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N(C[6]C[6]N[6])(OH)	125.1220	0.000	1	125.1220	0.000	1	124.1890	1.741	2	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(OH)	C[6](N[6]C[6,6a]H)(C[6]S[6]N)(NO){2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N(C[6]C[6]N[6])(OH)	123.2560	0.000	1	123.2560	0.000	1	124.1890	1.741	2	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:N-2:	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	N(C[6]C[6]N[6])(NN)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	N(C[6]C[6]N[6])(NN)	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-2:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	N(C[6]N[6]2)(NC)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	N(C[6]N[6]2)(NC)	125.4490	0.000	1	125.4490	0.000	1	125.4490	0.000	1	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-2:	C[6](N[6]C[6]H)2(NC)	N[6](C[6]N[6]N)2(H)	N(C[6]N[6]2)(CN)	C[6](N[6]C[6]H)2(NC){3|N<2>}	N[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	N(C[6]N[6]2)(CN)	121.9850	7.164	2	121.9850	51.329	2	121.9850	51.329	2	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:2:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	N[6](C[6]N[6]N)(C[6]N[6]O)(H)	N(C[6]N[6]2)(OH)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	N[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	N(C[6]N[6]2)(OH)	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.0299	13.583	22	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	N(C[6]C[5a,6]N[6])(NRuC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	N(C[6]C[5a,6]N[6])(NRuC)	124.7933	0.655	3	124.7933	0.429	3	124.7933	0.429	3	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN)	N[6](C[6]C[6,6a]N)(N[6]C[6]Ni)(H)	N(C[6]C[6,6a]N[6])(NNiC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]H)(NN){1|Ni<6>,1|H<1>,3|C<3>}	N[6](C[6]C[6,6a]N)(N[6]C[6]Ni)(H){1|N<3>,2|C<3>}	N(C[6]C[6,6a]N[6])(NNiC)	123.8710	0.000	1	123.8710	0.000	1	123.8710	0.000	1	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]O)	114.3315	1.452	2	114.3315	2.107	2	114.3315	2.107	2	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(C[5]N[5]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[5]N[5]2)	113.9410	0.692	2	113.9410	0.478	2	113.9410	0.478	2	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	120.1200	0.000	1	120.1200	0.000	1	120.1200	0.000	1	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(NOO)	110.1340	0.000	1	110.1340	0.000	1	110.1340	0.000	1	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]N[6])(CC[5]O)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[5]O)	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-3:	C[6](N[6]C[6]H)2(NC)	N[6](C[6]C[6]O)(C[6]N[6]N)(H)	N(C[6]N[6]2)(CNO)	C[6](N[6]C[6]H)2(NC){1|C<4>,2|O<1>}	N[6](C[6]C[6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,2|C<4>}	N(C[6]N[6]2)(CNO)	121.6925	5.058	2	121.6925	25.583	2	121.6925	25.583	2	118.5606	31.488	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(PC[6a]2P)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(PC[6a]2P)	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(P[6]N[6]2Cl)	115.8230	0.000	1	115.8230	0.000	1	115.8230	0.000	1	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	124.3987	0.199	3	124.3987	0.040	3	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]C)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	113.8173	1.403	3	113.8173	1.967	3	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	113.3855	0.332	2	114.4897	4.924	25	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	114.2877	0.356	7	114.4897	4.924	25	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	114.6462	0.396	5	114.4897	4.924	25	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	114.7478	3.363	11	114.4897	4.924	25	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	112.2625	1.094	2	112.6387	0.485	10	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)2(H){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	112.7327	0.634	8	112.6387	0.485	10	114.7141	11.367	41	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(O)	N(C[6]C[6]N[6])(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(CCHH)	115.8960	0.000	1	115.8960	0.000	1	115.8960	0.000	1	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:1:	3:4:	N[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	N(C[6]C[6]N[6])(SC[6a]OO)	125.8150	0.000	1	125.8150	0.000	1	125.8150	0.000	1	115.0177	13.101	45	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:2:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:H-1:	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	N[6](C[6]C[6]N)(C[6]N[6]H)(OC)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)(C[6]N[6]H)(OC){1|C<3>,1|N<3>}	N(C[6]C[6]N[6])(H)	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	126.6120	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	N(C[6]C[5a,6]N[6])(H)	125.6625	0.276	2	125.6625	0.076	2	125.6625	0.076	2	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[3,6]O)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	N(C[6]C[6,6a]N[6])(H)	122.3720	0.000	1	122.3720	0.000	1	123.2874	3.518	5	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|C<4>,6|C<3>}	N(C[6]C[6,6a]N[6])(H)	120.4210	0.000	1	123.5162	4.342	4	123.2874	3.518	5	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|H<1>,1|N<2>,5|C<3>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]N)(C[6a]C[6a]2){2|H<1>,6|C<3>}	N(C[6]C[6,6a]N[6])(H)	124.5480	0.354	3	123.5162	4.342	4	123.2874	3.518	5	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|H<1>,4|C<3>}	N(C[6]C[6,6a]N[6])(H)	124.7040	0.000	1	124.7180	0.018	3	124.7180	0.018	3	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH)	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C)	N(C[6]C[6,6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NH){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6a]C[6a]2)(C[6]N[6]C){2|C<4>,4|C<3>}	N(C[6]C[6,6a]N[6])(H)	124.7250	0.187	2	124.7180	0.018	3	124.7180	0.018	3	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N)	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	N[6](C[6]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]N){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	N(C[6]C[6]N[6])(H)	124.8690	0.000	1	124.8690	0.000	1	124.8690	0.000	1	124.2532	2.385	11	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:3:	N[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a])	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N)	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]C[6])(NC[6a]){1|N<3>,2|N<2>,4|C<3>}	N[6](C[6]N[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]N){2|H<1>,4|C<3>}	N(C[6]N[5a,6]N[6])(C[6a]C[6a]2)	130.4650	0.000	1	130.4650	0.000	1	130.4650	0.000	1	130.4650	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC)	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2)	N(C[6]C[6,6a]N[6])(CC3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6](C[6]C[6,6a]N)(C[6]N[5]N[6])(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	N(C[6]C[6,6a]N[6])(CC3)	126.4510	0.000	1	126.4510	0.000	1	126.4510	0.000	1	118.1377	52.447	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:4:	C[6]-3:N[6]-3:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	N[6](C[6a]C[6a]2)(C[6]C[6]N)2	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]N)2{1|C<2>,2|H<1>,4|C<3>}	N(C[6]C[6]N[6])(SC[6a]OO)	113.1980	0.000	1	113.1980	0.000	1	113.1980	0.000	1	118.1377	52.447	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:3:	3:4:	N[6]-3:C[6]-3:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:S-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)(NS){1|H<1>,1|N<2>,3|C<3>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]H)(C[6]C[6]N){2|H<1>,4|C<3>}	N(C[6]C[6]N[6])(SC[6a]OO)	114.7640	0.000	1	114.7640	0.000	1	114.7640	0.000	1	118.1377	52.447	3	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	N(C[6]C[5a,6]N[6])(H)	119.2463	0.454	3	119.2463	0.206	3	119.5552	0.282	5	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	N(C[6]C[5a,6]N[6])(H)	120.0185	0.046	2	120.0185	0.002	2	119.5552	0.282	5	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	N[6](C[6]C[6]C)(C[6]C[6]N)(CC[6a]HH){1|C<2>,1|C<3>,1|C<4>}	N(C[6]C[6]N[6])(H)	118.6958	0.209	4	118.6958	0.043	4	118.5135	0.185	8	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,1|C<3>,1|H<1>}	N(C[6]C[6]N[6])(H)	117.6690	0.000	1	117.8875	0.095	2	118.5135	0.185	8	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<2>,2|C<3>}	N(C[6]C[6]N[6])(H)	118.1060	0.000	1	117.8875	0.095	2	118.5135	0.185	8	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:H-1:	C[6](C[6]C[6]H)(N[6]C[6]C)(NH)	N[6](C[6]C[6]N)2(CH3)	N(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH){1|C<3>,1|H<1>,1|N<3>}	N[6](C[6]C[6]N)2(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(H)	118.7750	0.130	2	118.7750	0.017	2	118.5135	0.185	8	118.9142	0.480	13	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:2:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-2:	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN)	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(NC)	C[6](N[6]C[6,6a]H)(N[6]C[6]C)(NN){1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]O)(C[6]N[6]N)(CH3){1|H<1>,2|C<3>}	N(C[6]N[6]2)(NC)	117.9030	0.000	1	117.9030	0.000	1	117.9030	0.000	1	119.4635	4.870	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:2:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:O-2:	C[6](N[6]C[6]C)(N[6]C[6]H)(NO)	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	N(C[6]N[6]2)(OH)	C[6](N[6]C[6]C)(N[6]C[6]H)(NO){1|N<3>,2|O<1>}	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|H<1>,2|C<3>}	N(C[6]N[6]2)(OH)	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	119.4635	4.870	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6,6a]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a])	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(NC[6a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[6,6a]N)(C[6]C[6]O)(CH3){2|C<3>,2|H<1>}	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)	115.4500	0.000	1	115.4500	0.000	1	115.4500	0.000	1	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	N(C[6]C[6]N[6])(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CHN)	114.5090	0.000	1	114.5090	0.000	1	114.5401	0.458	9	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(CHN)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CHN)	115.3210	0.651	2	115.3210	0.423	2	114.5401	0.458	9	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]N[6])(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CCH)	114.1800	0.000	1	114.1800	0.000	1	114.5401	0.458	9	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]N[6])(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CC[6]O)	114.3060	0.635	5	114.3060	0.404	5	114.5401	0.458	9	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])2	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])2	115.1970	0.069	2	115.1970	0.005	2	115.1970	0.005	2	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N-3:	C[6](C[6]C[6]H)(N[6]C[6]C)(NN)	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	N(C[6]C[6]N[6])(NOO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[6]N[6])(NOO)	112.0470	0.000	1	112.0470	0.000	1	112.0470	0.000	1	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:	C[6](N[6]C[6]C)2(NC[6a])	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3)	N(C[6a]C[6a]2)(C[6]N[6]2)	C[6](N[6]C[6]C)2(NC[6a]){1|N<3>,2|O<1>}	N[6](C[6]N[6]N)(C[6]N[6]O)(CH3){1|C<3>,2|C<4>}	N(C[6a]C[6a]2)(C[6]N[6]2)	122.5770	6.904	4	122.5770	47.666	4	122.5770	47.666	4	116.4153	22.073	17	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:N-2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH)	N(C[6]C[6]N[6])(CCCH)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC){5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CCCH){1|H<1>,4|C<3>}	N(C[6]C[6]N[6])(CCCH)	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	117.9418	9.494	6	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:B-4:	C[6]-3:Si-4:	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	N[6](C[6]C[6]N)2(BH3)	N(C[6]C[6]N[6])(SiC3)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	N[6](C[6]C[6]N)2(BH3){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SiC3)	118.2815	0.023	2	118.2815	0.001	2	118.2815	0.001	2	117.9418	9.494	6	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	N(C[6]C[6]N[6])(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(CCHH)	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	117.9418	9.494	6	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:S-4:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[6]H)(C[6]C[6]N)(SC[6a]OO){1|C<3>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	114.1770	0.000	1	114.1770	0.000	1	114.1770	0.000	1	117.9418	9.494	6	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	3:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(NC)	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH)	N(C[6]N[6]2)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]N[6]H)(C[6]N[6]N)(CCCH){1|B<4>,2|C<4>}	N(C[6]N[6]2)(CCCH)	123.4160	0.000	1	123.4160	0.000	1	123.4160	0.000	1	117.9418	9.494	6	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:1:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:N-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(H)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(H){3|C<4>}	N(C[6]N[6]2)(NOO)	126.9368	0.947	5	126.9368	0.896	5	126.9368	0.896	5	126.9368	0.896	5	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:1:	3:4:	C[6]-3:N[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6](C[6,6]C[6]2N[6])(C[6]C[6]N)(H){2|C<3>,3|C<4>,4|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:3:	3:3:	N[6]-3:N[6]-3:N-2:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO)	N(C[6]N[6]2)(COO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>,3|C<4>}	N(C[6]N[6]2)(COO)	129.0010	0.000	1	129.0010	0.000	1	129.0010	0.000	1	129.0010	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:3:	3:4:	P[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6])	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N)	N(C[6]N[6]P[6])(C[6]C[6]2H)	C[6](P[6]C[6]Cu)(N[6]C[6]2)(NC[6]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6](C[6]C[6]2H)(C[6]N[6]O)(C[6]P[6]N){1|Cu<2>,1|C<3>,3|C<4>,4|H<1>}	N(C[6]N[6]P[6])(C[6]C[6]2H)	116.2520	0.167	2	116.2520	0.028	2	116.2520	0.028	2	116.2520	0.028	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-3:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	N(C[6]N[6]2)(COO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NC){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	N(C[6]N[6]2)(COO)	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){1|H<1>,2|C<4>}	N(C[6]N[6]2)(NOO)	113.8900	0.372	2	113.8900	0.138	2	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)(N[6]C[6]H)(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)(N[6]C[6]H)(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){1|H<1>,2|C<4>}	N(C[6]N[6]2)(NOO)	114.7883	0.598	3	114.7883	0.358	3	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[5a]HH){3|C<4>}	N(C[6]N[6]2)(NOO)	118.5180	0.000	1	118.5180	0.000	1	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CC[6a]CH){3|C<4>}	N(C[6]N[6]2)(NOO)	119.0770	0.000	1	119.0770	0.000	1	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|N<3>,4|H<1>}	N[6](C[6]N[6]HH)(C[6]N[6]N)(CH3){3|C<4>}	N(C[6]N[6]2)(NOO)	120.1405	1.026	2	120.1405	1.053	2	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CCHH){2|C<4>}	N(C[6]N[6]2)(NOO)	123.9240	0.000	1	123.9240	0.000	1	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[5a]HH){2|C<4>}	N(C[6]N[6]2)(NOO)	117.2650	0.000	1	117.2650	0.000	1	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CC[6a]CH){2|C<4>}	N(C[6]N[6]2)(NOO)	120.2635	3.386	2	120.2635	11.467	2	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:N-3:	C[6](N[6]C[6]C)2(NN)	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(NOO)	C[6](N[6]C[6]C)2(NN){1|O<2>,4|H<1>}	N[6](C[6]O[6]HH)(C[6]N[6]N)(CH3){2|C<4>}	N(C[6]N[6]2)(NOO)	120.5632	3.799	4	120.5632	14.434	4	118.4700	12.525	17	118.5091	11.816	18	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	C[3x6]-3:N[6]-3:N-2:	Si[4,6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3)	N(C[6]C[3x6]N[6])(CC3)	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[6](Si[4,6]Si[4,3x6]C[6a]O[4])(C[6]C[3x6]N)(CC3){1|Si<4>,1|Si<5>,1|C<4>,3|C<3>}	N(C[6]C[3x6]N[6])(CC3)	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	120.6040	10.923	8	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	C[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](C[6]C[6]H)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]H)(N[6]C[6]C)(NS){1|C<4>,3|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[6]N[6])(SC[6a]OO)	117.8530	0.346	2	117.8530	0.120	2	117.8530	0.120	2	120.6040	10.923	8	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	B[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]B[6]C)(N[6]C[6]C)(NC)	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH)	N(C[6]N[6]2)(CCCH)	C[6](N[6]B[6]C)(N[6]C[6]C)(NC){1|H<1>,1|N<3>,2|C<3>}	N[6](B[6]C[6a]2N[6])(C[6]N[6]N)(CCCH){2|C<4>,5|C<3>}	N(C[6]N[6]2)(CCCH)	122.9580	0.000	1	122.9580	0.000	1	122.9580	0.000	1	120.6040	10.923	8	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS)	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH)	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS){1|C<3>,1|C<4>,3|H<1>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	N(C[6]N[6]2)(SC[6a]OO)	124.4730	0.000	1	124.4730	0.000	1	124.4730	0.000	1	120.6040	10.923	8	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)2(NC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]C)2(NC){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	N(C[6]N[6]2)(CCHH)	121.1953	4.088	3	121.1953	16.710	3	121.1953	16.710	3	120.6040	10.923	8	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:3:2:	4:3:4:	4:3:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[5]-4:C[6]-3:	C[6](N[6]C[6]C)2(NC[5])	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	N(C[5]C[5]2Fe)(C[6]N[6]2)	C[6](N[6]C[6]C)2(NC[5]){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	N(C[5]C[5]2Fe)(C[6]N[6]2)	122.2085	4.242	4	122.2085	17.996	4	122.2085	17.996	4	122.2085	17.996	4	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	3:4:2:	3:3:3:	3:1:	N[6]-3:C[6]-4:N-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	N(C[6]C[6]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]CH)(NH){1|H<1>,5|C<3>}	N[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,3|H<1>,4|C<3>}	N(C[6]C[6]N[6])(H)	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	3:3:1:	3:2:	C[6]-4:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O-2:	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO)	N[6](C[6]C[6]N)2(H)	N(C[6]C[6]N[6])(OH)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NO){1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[6]N)2(H){1|C<4>,4|H<1>}	N(C[6]C[6]N[6])(OH)	122.2200	0.196	4	122.2200	0.038	4	122.2200	0.038	4	122.2200	0.038	4	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	3:3:1:	3:3:	C[6,6]-4:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H)	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6]C)(N[6]C[6]H)(NC[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	N[6](C[6]C[6,6]N)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[6,6]N[6])(C[6a]C[6a]2)	124.2050	0.000	1	124.2050	0.000	1	124.2050	0.000	1	124.3425	0.038	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	3:3:1:	3:3:	C[6]-4:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a])	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6a]C[6a]C)(N[6]C[6]H)(NC[6a]){1|O<1>,4|C<3>}	N[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|C<4>,3|C<3>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	124.3425	0.038	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	3:3:1:	3:4:	C[6]-4:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S-4:	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS)	N[6](C[6]C[6]N)(C[6]N[6]O)(H)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]HH)(N[6]C[6]H)(NS){1|H<1>,1|N<3>,1|O<1>,1|P<4>}	N[6](C[6]C[6]N)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	115.8540	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	4:3:3:	3:4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6,6a]HH)(N[6]C[6a]C[6])(NS){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	118.8540	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	4:3:4:	3:3:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a])	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	N(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(NC[6a]){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,3|H<1>}	N(C[6]C[6]N[6])(C[6a]C[6a]2)	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	4:3:4:	3:4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){2|C<3>,2|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CCHH){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	117.2770	0.000	1	117.2770	0.000	1	116.4250	1.452	2	116.4250	1.452	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP2	C[6]	N[6]	N	4:3:2:	4:3:4:	3:4:	C[6]-4:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS)	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH)	N(C[6]C[6]N[6])(SC[6a]OO)	C[6](C[6]C[6]CH)(N[6]C[6]C)(NS){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]HH){2|C<4>,3|H<1>}	N(C[6]C[6]N[6])(SC[6a]OO)	115.5730	0.000	1	115.5730	0.000	1	116.4250	1.452	2	116.4250	1.452	2	118.7206	19.923	296	118.7345	19.616	303
762	856	941	0:SP2_SP2_SP3	C[6]	N[6,6]	N	3:2:2:	4:4:3:	3:3:	N[6,6]-3:S[6]-2:N-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N)	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(S[6]C[6])(NC[6a]){2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]S[6]N){2|C<4>,3|H<1>}	N(C[6]N[6,6]S[6])(C[6a]C[6a]2)	119.5845	0.005	2	119.5845	0.000	2	119.5845	0.000	2	119.5845	0.000	2	118.9663	1.146	3	119.9803	8.702	7
762	856	941	0:SP2_SP2_SP3	C[6]	N[6,6]	N	3:4:2:	4:4:3:	3:3:	N[6,6]-3:C[6]-4:N-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6a]-3:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N)	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){2|C<4>,6|H<1>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6]HH)(C[6]C[6]N){2|C<4>,5|H<1>}	N(C[6]N[6,6]C[6])(C[6a]C[6a]2)	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	118.9663	1.146	3	119.9803	8.702	7
762	856	941	0:SP2_SP2_SP3	C[6]	N[6]	N	2:3:2:	4:3:4:	3:3:	S[6]-2:N[6]-3:N-2:	S[6]-4:C[6]-3:C-4:	C[6]-3:C[6a]-3:	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a])	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3)	N(C[6]N[6]S[6])(C[6a]C[6a]2)	C[6](S[6]C[6,6a])(N[6]S[6]C)(NC[6a]){2|C<3>,2|O<1>}	N[6](S[6]C[6,6a]OO)(C[6]S[6]N)(CH3){2|C<3>}	N(C[6]N[6]S[6])(C[6a]C[6a]2)	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	120.7408	14.841	4	119.9803	8.702	7
762	856	941	0:SP2_SP2_SP3	C[6]	N[6]	N	3:2:2:	3:2:1:	3:2:	N[6]-3:S[6]-2:N-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:N-2:	C[6](N[6]N[6]H)(S[6]C[6])(NN)	N[6](C[6]S[6]N)(N[6]C[6])(H)	N(C[6]N[6]S[6])(NC)	C[6](N[6]N[6]H)(S[6]C[6])(NN){1|C<3>,2|H<1>}	N[6](C[6]S[6]N)(N[6]C[6])(H){1|C<3>,1|C<4>}	N(C[6]N[6]S[6])(NC)	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	118.2690	0.000	1	120.7408	14.841	4	119.9803	8.702	7
762	856	941	0:SP2_SP2_SP3	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:C-4:	C[6](N[6]C[6]C)2(NC)	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3)	N(C[6]N[6]2)(CCHH)	C[6](N[6]C[6]C)2(NC){1|C<4>,4|H<1>}	N[6](C[6]C[6]HH)(C[6]N[6]N)(CH3){2|C<4>,2|H<1>}	N(C[6]N[6]2)(CCHH)	126.4830	0.000	1	126.4830	0.000	1	126.4830	0.000	1	122.6875	28.812	2	120.7408	14.841	4	119.9803	8.702	7
762	856	941	0:SP2_SP2_SP3	C[6]	N[6]	N	3:3:2:	4:3:4:	3:4:	N[6]-3:N[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6]-3:S-4:	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS)	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH)	N(C[6]N[6]2)(SC[6a]OO)	C[6](N[6]C[5,6]C)(N[6]C[6]C)(NS){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5,6]HH)(C[6]N[6]N)(CC[6a]HH){1|H<1>,3|C<4>}	N(C[6]N[6]2)(SC[6a]OO)	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	122.6875	28.812	2	120.7408	14.841	4	119.9803	8.702	7