930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[6,6]H){1|C<3>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	131.4520	0.000	1	131.4520	0.000	1	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	127.5410	0.000	1	127.5410	0.000	1	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	124.9210	0.000	1	124.9210	0.000	1	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	129.2510	0.000	1	129.2510	0.000	1	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	128.6130	0.000	1	130.0296	0.667	7	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	130.3830	0.245	3	130.0296	0.667	7	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]O)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	130.1483	0.854	3	130.0296	0.667	7	129.3975	3.453	11	129.3975	3.453	11	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]N)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	131.0503	0.129	3	131.0503	0.017	3	130.2594	1.539	5	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	129.9190	0.000	1	129.0730	1.431	2	130.2594	1.539	5	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H)	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]O)(CC[6a]H){3|C<4>,3|H<1>}	128.2270	0.000	1	129.0730	1.431	2	130.2594	1.539	5	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6,6]-3:C-3:	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H)	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]H){2|C<4>,2|H<1>}	130.9640	0.000	1	130.9640	0.000	1	130.9640	0.000	1	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:N[3x6]-3:C-3:	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H)	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H)	C(C[6,6]C[6,6]N[3x6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6,6]H){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[3x6]HO)(N[3x6]C[6,6]2)(CC[6a]H){2|C<4>,5|H<1>}	130.4300	0.000	1	130.4300	0.000	1	130.4300	0.000	1	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[5,6,6]O[6,6]H)(C[6,6]C[3x6]H)(CC[6a]O){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	118.8310	0.000	1	118.8310	0.000	1	119.1130	0.161	6	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]C)(CC[6a]O){2|H<1>,3|C<3>}	118.6300	0.000	1	118.6300	0.000	1	119.1130	0.161	6	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]C)(CC[6a]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	119.6230	0.000	1	119.6230	0.000	1	119.1130	0.161	6	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2O)(C[6,6]C[3x6]C)(CC[6a]O){1|C<3>,1|C<4>,5|H<1>}	119.5700	0.000	1	119.5700	0.000	1	119.1130	0.161	6	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[6,6]-3:C-3:	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O)	C(C[6,6]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[3x6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.0120	0.045	2	119.0120	0.002	2	119.1130	0.161	6	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6,6]-3:C-3:	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O)	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O)	C(C[6,6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[6,6]C[4,6,6]HH)(C[6,6]C[4,6,6]O)(CC[6a]O){2|C<4>,2|H<1>}	126.1550	0.000	1	126.1550	0.000	1	126.1550	0.000	1	125.2517	32.208	14	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6,6]	3:3:2:	3:3:3:	4:4:3:	C[6,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[3x6]-4:C[3x6]-4:C-3:	C(C[6,6]C[3x6]2)(C[6a]C[6a]2)(ONb[3])	C[6a](C[6a]C[6a]C)2(CC[6,6]O)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O)	C(C[6,6]C[3x6]2)(C[6a]C[6a]2)(ONb[3])	C[6a](C[6a]C[6a]C)2(CC[6,6]O){1|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]O){2|C<4>,8|H<1>}	127.7853	1.954	3	127.7853	3.817	3	127.7853	3.817	3	127.7853	3.817	3	127.1519	21.040	28	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cd<6>,1|C<3>,1|H<1>}	119.9245	0.943	4	119.9245	0.890	4	119.9245	0.890	4	119.9245	0.890	4	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:2:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	127.1890	0.000	1	127.1890	0.000	1	127.1890	0.000	1	127.1890	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C[6]-3:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	130.9280	0.000	1	130.9280	0.000	1	130.9280	0.000	1	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-3:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	129.3350	2.784	5	129.3350	7.748	5	130.3244	3.419	16	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-3:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){1|C<4>,2|C<3>}	130.7682	1.210	10	130.7741	1.318	11	130.3244	3.419	16	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-3:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]O)(CC[6a]H){2|C<3>}	130.8330	0.000	1	130.7741	1.318	11	130.3244	3.419	16	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:N[6]-3:C-3:	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	132.1110	0.000	1	130.9198	8.270	5	130.9198	8.270	5	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:N[6]-3:C-3:	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	C(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	130.6220	3.230	4	130.9198	8.270	5	130.9198	8.270	5	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	Se[6]-2:N[6]-3:C-3:	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H)	C(C[6]Se[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](Se[6]C[6,6a])(N[6]S[6]C)(CC[6a]H){2|C<3>,2|O<1>}	126.4570	0.000	1	126.4570	0.000	1	126.4570	0.000	1	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-3:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	129.9491	7.570	24	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C[6]-4:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]N[6]HH)(CC[6a]H){1|C<4>,2|C<3>}	130.2540	0.000	1	130.2540	0.000	1	128.9007	15.351	6	128.9007	15.351	6	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C[6]-4:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]CN)(CC[6a]H){1|H<1>,3|C<3>}	132.4270	0.000	1	132.4270	0.000	1	128.9007	15.351	6	128.9007	15.351	6	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	2:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C[6]-4:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HN)(CC[6a]H){1|H<1>,3|C<3>}	127.6808	4.341	4	127.6808	18.845	4	128.9007	15.351	6	128.9007	15.351	6	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CC[6a]H){1|H<1>,2|C<3>,2|N<2>}	131.5270	0.000	1	131.5270	0.000	1	131.5270	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:S[6]-2:C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	129.9740	0.000	1	128.9370	2.151	2	128.5285	7.504	4	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:S[6]-2:C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5a,6])(CC[6a]H){1|H<1>,1|N<3>,3|C<3>}	127.9000	0.000	1	128.9370	2.151	2	128.5285	7.504	4	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:S[6]-2:C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	124.9820	0.000	1	128.1200	19.694	2	128.5285	7.504	4	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:S[6]-2:C-3:	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H)	C(C[6]C[6,6a]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	131.2580	0.000	1	128.1200	19.694	2	128.5285	7.504	4	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-2:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[5,6]O)(N[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	133.2070	0.000	1	133.2070	0.000	1	133.2070	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:O[6]-2:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	130.5927	0.833	4	130.5927	0.694	4	130.5927	0.694	4	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:S[6]-2:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(S[6]C[5a,6])(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>}	127.2450	0.000	1	127.2450	0.000	1	127.2450	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:O[6]-2:C-3:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	127.2960	0.000	1	127.2960	0.000	1	127.2960	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]I){1|H<1>,1|N<2>,3|C<3>}	127.0303	0.625	3	127.0303	0.390	3	127.0303	0.390	3	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:N[6]-2:C-3:	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	117.1210	0.000	1	117.1210	0.000	1	117.9785	1.471	2	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:N[6]-2:C-3:	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	118.8360	0.000	1	118.8360	0.000	1	117.9785	1.471	2	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-2:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]N[6])(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	120.9500	0.000	1	120.9500	0.000	1	120.9500	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:N[6]-2:C-3:	C(C[6]N[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O)	C(C[6]N[5,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a])(CC[6a]O){6|C<3>}	119.2440	0.000	1	119.2440	0.000	1	119.2440	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	N[6]-3:O[6]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]N[6]O[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	C[6](N[6]C[6]S)(O[6]C[6])(CC[6a]H){1|C<3>,3|H<1>}	125.2320	0.000	1	125.2320	0.000	1	125.2320	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:N[6]-2:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6a]S[6])(N[6]C[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	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>}	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	126.5311	23.517	21	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]Br){1|S<2>,2|O<2>,4|C<3>}	129.1710	0.000	1	129.1710	0.000	1	129.1710	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){1|O<2>,2|H<1>,4|C<3>}	129.2635	0.240	2	129.2635	0.057	2	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	129.8920	0.000	1	129.8920	0.000	1	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	128.7810	0.000	1	128.7810	0.000	1	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	130.6355	0.637	2	131.4603	1.302	8	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	131.6045	0.124	2	131.4603	1.302	8	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	133.5490	0.000	1	131.4603	1.302	8	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]H){2|H<1>,5|C<3>}	131.2177	1.173	3	131.4603	1.302	8	130.7402	2.022	12	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	129.9260	0.000	1	130.6690	1.104	2	130.6690	1.104	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	131.4120	0.000	1	130.6690	1.104	2	130.6690	1.104	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	130.4280	0.000	1	130.4280	0.000	1	131.1655	1.088	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]H)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	131.9030	0.000	1	131.9030	0.000	1	131.1655	1.088	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	136.4990	0.296	2	136.4990	0.087	2	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H)	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H){1|C<3>,1|H<1>}	C[6](C[6]N[5,6]O)(N[6]C[6]O)(CC[6a]H){1|O<1>,2|C<4>}	129.8840	0.000	1	129.8840	0.000	1	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(N[6]C[6]S)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	133.2150	0.000	1	133.2150	0.000	1	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]N[6])(N[6]N[6]C)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	128.0570	0.000	1	128.0570	0.000	1	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)(N[6]C[6]2)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	129.4490	0.000	1	129.4490	0.000	1	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]C)(CC[6a]H){1|O<1>,2|C<4>}	133.0170	0.000	1	133.0170	0.000	1	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)(N[6]C[6]H)(CC[6a]H){1|C<4>,1|H<1>,1|O<1>}	129.1775	1.361	2	129.1775	1.853	2	131.6639	10.798	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[6]-3:C-3:	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H)	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(CC[6a]H){1|O<1>,2|H<1>,3|C<4>}	131.1130	0.000	1	131.1130	0.000	1	131.1130	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(CC[6a]O){1|C<3>,5|C<4>}	117.7520	0.000	1	117.7520	0.000	1	119.4740	5.931	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	121.1960	0.000	1	121.1960	0.000	1	119.4740	5.931	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6]-3:C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	116.9945	0.514	2	117.6293	1.341	3	118.7590	4.268	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	118.8990	0.000	1	117.6293	1.341	3	118.7590	4.268	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	118.9010	0.000	1	118.9010	0.000	1	118.7590	4.268	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O){2|C<3>,2|C<4>}	122.0060	0.000	1	122.0060	0.000	1	118.7590	4.268	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[5,6]-3:C-3:	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O)	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]N[5])(CC[6a]O){2|C<4>,4|C<3>}	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){2|O<2>,3|C<3>}	118.0520	0.000	1	118.2690	0.094	2	118.4097	0.106	3	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	118.4860	0.000	1	118.2690	0.094	2	118.4097	0.106	3	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	118.6910	0.000	1	118.6910	0.000	1	118.4097	0.106	3	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CC[6a]O)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	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>}	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	120.0380	0.000	1	120.0380	0.000	1	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	120.5170	0.000	1	120.5170	0.000	1	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C[6a])(N[6]C[6a]C[6])(CC[6a]O){1|H<1>,7|C<3>}	117.8370	1.611	2	117.8370	2.595	2	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(N[6]C[6]O)(CC[6a]O){1|C<4>,2|C<3>}	117.8790	0.000	1	117.8790	0.000	1	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	123.9193	2.131	4	123.0350	3.018	9	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	122.3276	1.106	5	123.0350	3.018	9	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	121.0960	0.000	1	122.6333	1.237	4	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	123.2710	0.682	2	122.6333	1.237	4	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]H)(CC[6a]O){2|C<3>,2|O<1>}	122.8950	0.000	1	122.6333	1.237	4	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	120.3230	0.000	1	120.3230	0.000	1	121.6989	5.582	19	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5a,6]-3:C[6,6]-3:C-3:	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	C(C[6]N[5a,6]C[6,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	117.6940	0.000	1	117.6940	0.000	1	117.6940	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	124.3080	3.085	5	124.3080	9.515	5	122.0491	12.562	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]O)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	119.8190	0.205	2	119.8190	0.042	2	122.0491	12.562	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6]O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	118.6320	1.892	2	118.6320	3.580	2	122.0491	12.562	9	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a,6a]2)(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6]H){2|H<1>,5|C<3>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	131.6170	0.535	2	131.6170	0.286	2	131.6170	0.286	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]O)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	118.6330	0.000	1	118.6330	0.000	1	122.3198	24.863	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	119.3830	2.687	2	123.2415	27.488	4	122.3198	24.863	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	127.1000	3.961	2	123.2415	27.488	4	122.3198	24.863	5	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]H){1|H<1>,2|C<3>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|H<1>}	137.3500	0.000	1	137.3500	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	135.6530	0.000	1	135.6530	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	131.5680	0.000	1	131.5680	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	130.1100	0.000	1	130.1100	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	C[6](C[6]C[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	127.7710	0.000	1	127.7710	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	128.8590	0.000	1	128.8590	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	126.9355	1.780	2	126.9355	3.168	2	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	136.6140	0.000	1	136.6140	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	128.9315	1.026	2	128.9315	1.053	2	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	130.1470	0.000	1	130.1470	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.4900	0.000	1	128.4900	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]H)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	128.9670	0.000	1	130.6250	3.377	3	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]H)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	131.4540	1.622	2	130.6250	3.377	3	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	137.9365	0.445	2	138.5053	0.553	10	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|C<4>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	138.5170	0.088	2	138.5053	0.553	10	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	138.6910	0.885	6	138.5053	0.553	10	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	134.7250	0.000	1	134.3391	5.582	9	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	134.2909	2.521	8	134.3391	5.582	9	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	133.0070	0.000	1	133.0070	0.000	1	133.8134	17.200	36	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[6]-3:S[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](S[6]C[6]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]S[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	132.7290	0.000	1	132.7290	0.000	1	132.7290	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O){1|H<1>,4|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	114.3430	0.000	1	114.3430	0.000	1	114.3430	0.000	1	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]C)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	119.4380	0.000	1	119.4380	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	120.8370	0.000	1	120.8370	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	122.8850	0.000	1	122.8850	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O)	C[6](C[6]C[6]O)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	122.2385	0.112	2	122.2385	0.013	2	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	120.2510	0.000	1	120.2510	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	119.7870	0.000	1	119.7870	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Mn<6>,1|C<3>,1|H<1>}	119.9720	0.000	1	119.9720	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	122.4690	0.000	1	122.4690	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	126.2490	0.000	1	123.4264	4.927	5	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	122.7207	1.803	4	123.4264	4.927	5	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O){2|C<3>}	119.1420	0.281	2	119.1420	0.079	2	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	121.7010	0.000	1	121.7010	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cu<4>,1|C<3>,1|H<1>}	120.1410	0.000	1	120.6613	0.505	3	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	120.3720	0.000	1	120.6613	0.505	3	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Re<6>,1|C<3>,1|H<1>}	121.4710	0.000	1	120.6613	0.505	3	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	118.2450	0.000	1	118.2450	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]O){1|C<3>,2|H<1>}	122.3310	0.000	1	120.6656	0.865	17	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]H)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	120.5615	0.852	16	120.6656	0.865	17	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]N)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	120.7800	0.000	1	120.7800	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	119.2770	0.000	1	119.2770	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O){1|O<1>,4|C<3>}	119.6680	0.000	1	119.6680	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	119.4350	0.918	2	119.4350	0.842	2	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	119.5610	0.000	1	119.5610	0.000	1	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	119.3955	0.148	2	119.3955	0.022	2	120.7766	2.470	46	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:N[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6a]C[6])2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]N[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])2(CC[6a]O){1|C<4>,2|O<1>,4|C<3>}	122.1060	6.805	2	122.1060	46.311	2	122.1060	46.311	2	125.6108	42.889	162	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]F){3|C<3>,3|H<1>}	134.5430	0.000	1	134.5430	0.000	1	134.5430	0.000	1	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	128.5640	0.000	1	128.5640	0.000	1	128.8815	6.766	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<3>,3|C<4>}	130.1780	0.000	1	130.1780	0.000	1	128.8815	6.766	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CC[6a]H){2|C<4>,4|C<3>}	125.3890	0.000	1	125.3890	0.000	1	128.8815	6.766	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CC[6a]H){1|N<3>,2|C<4>,3|H<1>}	131.3950	0.000	1	131.3950	0.000	1	128.8815	6.766	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	129.0540	0.000	1	129.0540	0.000	1	128.7864	1.777	5	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	130.2440	0.000	1	130.2440	0.000	1	128.7864	1.777	5	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	129.8280	0.000	1	129.8280	0.000	1	128.7864	1.777	5	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6]-4:C-3:	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	127.4030	0.033	2	127.4030	0.001	2	128.7864	1.777	5	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	128.7070	0.000	1	128.7070	0.000	1	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	131.3300	0.000	1	131.3300	0.000	1	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	128.0050	0.000	1	127.8390	0.222	3	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	128.2050	0.000	1	127.8390	0.222	3	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|N<2>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	127.3070	0.000	1	127.8390	0.222	3	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	129.2950	0.000	1	129.2950	0.000	1	128.8082	1.974	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[5,6]-4:C-3:	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H)	C(C[6]C[6,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	129.2730	0.000	1	129.2730	0.000	1	129.2730	0.000	1	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	128.1450	0.000	1	128.1450	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[6a]H){1|H<1>,2|C<4>,3|C<3>}	128.3460	0.000	1	128.3460	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,4|C<3>}	127.0640	0.000	1	127.0640	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]H){1|C<4>,2|C<3>,3|H<1>}	128.8510	0.000	1	128.8510	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CC[6a]H){1|H<1>,5|C<3>}	128.4300	0.000	1	128.4300	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	128.2030	0.000	1	128.2030	0.000	1	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	130.4440	3.205	3	130.4440	10.273	3	128.9301	4.081	9	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[6]-4:C-3:	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H)	C(C[6]N[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[5a,6]HH)(CC[6a]H){1|H<1>,1|N<3>,4|C<3>}	132.6140	0.000	1	132.6140	0.000	1	132.6140	0.000	1	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	127.8910	0.000	1	127.8910	0.000	1	128.3857	0.593	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	127.6610	0.000	1	127.6610	0.000	1	128.3857	0.593	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	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>}	127.7920	0.000	1	127.7920	0.000	1	128.3857	0.593	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	129.2115	0.672	2	128.9900	0.373	3	128.3857	0.593	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6,6a]S)(C[6]N[6]HH)(CC[6a]H){1|S<4>,2|C<3>}	128.5470	0.000	1	128.9900	0.373	3	128.3857	0.593	6	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	130.9275	0.087	2	130.9275	0.008	2	129.4940	6.169	3	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CC[6a]I){1|H<1>,1|N<3>,5|C<3>}	126.6270	0.000	1	126.6270	0.000	1	129.4940	6.169	3	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	117.0740	0.000	1	117.0740	0.000	1	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	121.2560	0.000	1	120.9193	0.174	3	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|H<1>,3|C<3>,3|C<4>}	120.7510	0.423	2	120.9193	0.174	3	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	124.7060	0.000	1	124.7060	0.000	1	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	119.5050	0.000	1	119.1833	0.239	3	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|H<1>,3|C<4>}	119.4240	0.000	1	119.1833	0.239	3	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	118.6210	0.000	1	119.1833	0.239	3	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	119.4400	0.000	1	119.4400	0.000	1	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]CH)(CC[6a]O){2|H<1>,3|C<3>}	121.2430	0.000	1	121.2430	0.000	1	120.2771	4.129	10	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,3|H<1>}	120.6910	0.000	1	120.2918	0.248	4	120.2918	0.248	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	120.4100	0.389	2	120.2918	0.248	4	120.2918	0.248	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-3:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]HH)(CC[6a]O){1|N<3>,2|H<1>,3|C<4>}	119.6560	0.000	1	120.2918	0.248	4	120.2918	0.248	4	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	125.5330	0.000	1	125.5330	0.000	1	127.5345	8.012	2	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	129.5360	0.000	1	129.5360	0.000	1	127.5345	8.012	2	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	126.6460	0.000	1	126.6460	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	128.8070	0.000	1	128.8070	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	128.6385	1.262	2	128.9513	1.090	3	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	129.5770	0.000	1	128.9513	1.090	3	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	127.8280	0.000	1	127.8280	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	127.2000	0.194	2	127.2000	0.038	2	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	128.0190	0.000	1	128.0190	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	124.6080	0.000	1	124.6080	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	130.4025	0.206	2	130.4025	0.042	2	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	129.2130	0.000	1	128.5645	1.574	11	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,5,6]O)(C[6]N[5,6]HH)(CC[6a]H){4|C<4>}	128.4996	1.303	10	128.5645	1.574	11	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	129.0188	2.297	4	129.0188	5.278	4	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]N[6]HH)(CC[6a]H){4|C<4>}	129.7116	1.634	29	129.7116	2.670	29	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	129.3700	0.000	1	129.3700	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	128.0680	0.000	1	128.0680	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	127.8650	0.000	1	127.8650	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	131.0230	0.000	2	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	130.5676	1.719	5	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<3>}	130.0040	0.000	1	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|C<4>}	129.4950	0.000	1	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	129.8203	0.859	6	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	130.4320	0.000	1	130.2336	1.265	16	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	128.6830	0.000	1	129.6435	1.497	15	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	129.8400	1.190	13	129.6435	1.497	15	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6a]O)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	128.0490	0.000	1	129.6435	1.497	15	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CC[6a]H){2|C<3>,2|H<1>}	126.7870	0.000	1	126.7870	0.000	1	129.3447	2.554	91	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I)	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I)	C(C[6a]C[6a]2)(C[6]C[6]2)(I)	C[6a](C[6a]C[6a]H)2(CC[6]I){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C)(C[6]C[6]HH)(CC[6a]I){1|H<1>,1|O<2>,2|C<3>}	128.3590	0.000	1	128.3590	0.000	1	128.3590	0.000	1	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,4|C<3>}	123.7960	0.000	1	123.7960	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	120.7090	0.000	1	120.7090	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	118.3410	0.000	1	118.3410	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]N[6]HH)(CC[6a]O){1|S<4>,2|C<3>}	120.4220	0.000	1	120.4220	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(C[6]O[6]CO)(CC[6a]O){2|C<3>}	118.0780	0.000	1	118.0780	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	118.4606	0.496	5	118.4606	0.246	5	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|N<3>}	117.0870	0.000	1	117.0870	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]CH)(CC[6a]O){4|C<3>}	119.8125	0.340	2	119.8125	0.116	2	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){2|C<4>,2|H<1>,4|C<3>}	124.1710	0.000	1	124.1710	0.000	1	119.6094	4.485	14	127.5960	15.730	158	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:O[6]-2:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	127.6220	1.421	2	127.6220	2.020	2	129.5803	6.267	4	124.1242	25.772	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:O[6]-2:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HN)(O[6]C[6,6])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	130.6890	0.000	1	130.6890	0.000	1	129.5803	6.267	4	124.1242	25.772	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:O[6]-2:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(O[6]C[6,6a])(CC[6a]H){1|H<1>,5|C<3>}	132.3880	0.000	1	132.3880	0.000	1	129.5803	6.267	4	124.1242	25.772	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:2:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:N[6]-2:C-3:	C(C[6]C[6,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]N[6,6]N[6]H)(N[6]N[6])(CC[6a]O)	C(C[6]C[6,6]N[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]N[6]H)(N[6]N[6])(CC[6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.4868	1.714	6	120.4868	2.937	6	120.4868	2.937	6	124.1242	25.772	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	128.5070	0.000	1	128.5070	0.000	1	128.5070	0.000	1	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HO)(N[6]C[6]C)(CC[6a]H){1|C<4>,1|O<1>,2|H<1>}	124.8190	0.000	1	124.8190	0.000	1	124.8190	0.000	1	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[5,6]N)(CC[6a]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	124.2185	0.283	4	124.2185	0.080	4	122.8406	3.818	8	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|N<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]N[6]H)(CC[6a]O){1|N<3>,1|O<1>,5|C<3>}	120.5870	0.949	2	120.5870	0.900	2	122.8406	3.818	8	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]O[6]C)(CC[6a]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	120.4240	0.000	1	120.4240	0.000	1	122.8406	3.818	8	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]N[6])(CC[6a]O){1|N<2>,2|H<1>,5|C<3>}	124.2530	0.000	1	124.2530	0.000	1	122.8406	3.818	8	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6,6]-3:C-3:	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O)	C(C[6]C[6,6]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]N[6])(CC[6a]O){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	120.0080	0.629	4	120.0080	0.396	4	120.0080	0.396	4	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	118.2090	0.000	1	118.2090	0.000	1	120.6373	4.424	3	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	121.8120	0.000	1	121.8515	0.003	2	120.6373	4.424	3	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	121.8910	0.000	1	121.8515	0.003	2	120.6373	4.424	3	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[5,6]-3:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]N[5])(CC[6a]O){1|H<1>,2|C<4>,4|C<3>}	120.3080	0.000	2	120.3080	0.000	2	120.3080	0.000	2	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	P[6]-4:C[6]-3:C-3:	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O){7|C<3>}	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	128.6690	1.912	2	128.6690	3.656	2	128.7970	2.944	5	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	131.0090	0.000	1	131.0090	0.000	1	128.7970	2.944	5	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]H){2|H<1>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	127.8190	1.131	2	127.8190	1.280	2	128.7970	2.944	5	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CC[6a]H){2|C<3>}	127.4530	0.000	1	127.4530	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.5015	0.292	4	128.5015	0.085	4	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	128.0720	0.000	1	128.0720	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	127.3980	0.000	1	127.3980	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	127.2114	0.919	16	127.2114	0.844	16	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	127.5125	0.726	2	127.5125	0.527	2	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	127.5361	0.752	8	127.6757	0.929	15	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	127.9878	1.244	6	127.6757	0.929	15	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	126.9190	0.000	1	127.6757	0.929	15	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	124.1945	0.616	2	124.1945	0.379	2	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.8470	0.824	2	129.2883	0.546	6	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	129.5090	0.700	4	129.2883	0.546	6	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	127.8455	0.598	2	128.3716	1.019	5	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	128.7223	1.182	3	128.3716	1.019	5	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H)	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(CC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]O[6]CC)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|H<1>}	128.8490	0.000	1	128.8490	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	127.7810	0.000	1	127.7810	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	129.0735	1.094	2	128.6884	2.382	9	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.2053	1.480	4	128.6884	2.382	9	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	131.5270	0.000	1	128.6884	2.382	9	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]H){1|C<4>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	127.8505	0.773	2	128.6884	2.382	9	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.7258	1.704	6	128.7258	2.904	6	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(CC[6a]H){1|O<2>,2|C<4>,2|H<1>}	128.9750	0.000	1	128.9750	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){1|C<4>,2|H<1>,2|O<2>}	130.5343	1.641	7	130.1999	2.689	10	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[5,6]O)(CC[6a]H){2|O<2>,3|C<4>}	129.4197	1.650	3	130.1999	2.689	10	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6a]O)(CC[6a]H){1|C<4>,3|C<3>}	128.3380	0.000	1	128.3380	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]N[6]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	130.8970	3.371	3	130.8970	11.366	3	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	128.9630	1.093	2	128.9630	1.195	2	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<4>,4|H<1>}	129.3220	0.000	1	129.3220	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.4490	0.389	2	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	131.5875	0.149	2	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	130.0040	0.293	2	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	128.7710	0.165	2	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.3463	2.019	23	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,1|O<2>,3|H<1>}	130.6300	0.000	1	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,4|H<1>}	130.2330	0.000	1	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.1335	0.517	2	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	132.2010	0.000	1	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	129.6133	1.583	9	130.2098	2.868	45	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	128.2730	0.000	1	128.2730	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]H){1|H<1>,1|O<1>,5|C<3>}	129.2785	0.310	2	129.2785	0.096	2	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	128.4630	0.000	1	131.0131	1.925	7	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	129.8470	0.000	1	131.0131	1.925	7	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(CC[6a]H){4|C<3>}	131.7564	0.481	5	131.0131	1.925	7	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]N)(CC[6a]H){1|H<1>,3|C<4>}	128.8160	0.000	1	128.8160	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	130.0900	0.000	1	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	130.0220	0.912	2	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	129.7965	1.961	2	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	131.8390	0.474	2	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	129.4903	0.842	4	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	132.0790	0.700	2	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	130.7780	1.188	4	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	130.3730	1.383	20	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	131.8480	1.532	4	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	129.7544	1.542	8	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){2|C<4>,2|H<1>}	128.9730	0.000	1	130.4099	2.047	50	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	130.6950	0.000	1	130.6950	0.000	1	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	131.1370	1.225	2	130.9715	3.687	4	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|O<2>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	130.8060	3.075	2	130.9715	3.687	4	129.4580	3.543	199	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[6]-4:C[5,6]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[5,6]N[5,6]S[5])(CC[6a]O){2|C<4>,4|C<3>}	120.3830	0.000	1	120.3830	0.000	1	120.3830	0.000	1	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	121.3040	0.000	1	121.3040	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	121.7095	0.139	2	121.7095	0.019	2	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]N)(CC[6a]O){4|C<3>}	119.8293	1.178	3	119.8293	1.388	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(CC[6a]O){1|H<1>,4|C<3>}	119.5130	0.000	1	119.5130	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CH)(C[6]O[6]H)(CC[6a]O){2|C<3>}	121.0850	0.000	1	121.0850	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]N)(CC[6a]O){5|C<3>}	120.0670	0.000	1	120.0670	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CC[6a]O){4|C<3>}	120.2720	0.000	1	120.2720	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]H)(CC[6a]O){4|C<3>}	122.2580	0.000	1	122.2580	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CC[6a]O){1|C<4>,4|H<1>}	120.8313	0.024	3	120.8313	0.001	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]O){1|C<4>,4|H<1>}	120.6700	0.000	1	120.6700	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	119.2600	0.528	2	120.7968	3.299	4	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|S<2>,3|H<1>}	122.6280	0.000	1	120.7968	3.299	4	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,2|O<2>}	122.0390	0.000	1	120.7968	3.299	4	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]O){1|C<4>,4|H<1>}	119.1240	0.701	2	119.1240	0.492	2	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	121.8200	0.000	1	120.9180	1.627	2	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|N<2>,1|S<4>}	120.0160	0.000	1	120.9180	1.627	2	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<4>,2|H<1>}	118.5180	0.000	1	118.5180	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|C<4>,1|H<1>,5|C<3>}	122.0440	0.000	1	121.4993	1.277	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){1|H<1>,6|C<3>}	120.2000	0.000	1	121.4993	1.277	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])(CC[6a]O){2|H<1>,5|C<3>}	122.2540	0.000	1	121.4993	1.277	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]C)(CC[6a]O){1|H<1>,4|C<3>}	121.1010	2.423	2	121.1010	5.869	2	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	121.0740	0.000	1	121.0740	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(CC[6a]O){1|H<1>,5|C<3>}	118.9500	0.000	1	118.9500	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]O[6]C)(CC[6a]O){1|C<2>,3|C<3>}	123.1400	0.000	1	123.1400	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	122.9350	0.000	1	122.9350	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]C)(CC[6a]O){1|C<4>,1|N<2>,2|C<3>}	118.0940	0.000	1	118.0940	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){2|H<1>,3|C<3>}	120.8960	2.756	2	120.3410	4.723	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]N[6]H)(CC[6a]O){3|C<3>}	119.2310	0.000	1	120.3410	4.723	3	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]H)(CC[6a]O){4|C<3>}	120.5790	0.000	1	120.5790	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O){1|S<4>,2|C<3>}	121.0480	0.000	1	121.0480	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]N[6]H)(CC[6a]O){1|C<4>,2|C<3>}	121.2670	0.000	1	121.2670	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]S[6]S)(CC[6a]O){1|C<3>,1|C<4>}	120.0510	0.000	1	120.0510	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	120.7960	0.000	1	120.7960	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	120.7230	0.000	1	120.7230	0.000	1	120.6683	1.816	43	127.4542	16.176	268	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	130.0510	0.000	1	131.3260	1.063	4	131.3260	1.063	4	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[6]F){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]F){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	131.7510	0.715	3	131.3260	1.063	4	131.3260	1.063	4	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6,6]-4:C[6]-4:C-3:	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]C[6,6a]O[5,6])(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	127.9310	0.000	1	127.9310	0.000	1	129.3766	0.835	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6,6]-4:C[6]-4:C-3:	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	129.7380	0.493	4	129.7380	0.243	4	129.3766	0.835	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	128.6370	0.000	1	128.6370	0.000	1	127.9288	1.470	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,5]C[5,6]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|C<4>,4|H<1>}	129.3070	0.000	1	129.3070	0.000	1	127.9288	1.470	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]HH)(CC[6a]H){1|C<3>,3|H<1>,4|C<4>}	126.6610	0.249	2	126.6610	0.062	2	127.9288	1.470	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]N[6]HH)(CC[6a]H){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	128.3780	0.000	1	128.3780	0.000	1	127.9288	1.470	5	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,5|H<1>}	127.6090	0.000	1	127.6090	0.000	1	127.6090	0.000	1	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br)	C(C[6a]C[6a]2)(C[6]C[6]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[6]Br){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]Br){1|C<4>,2|C<3>,2|H<1>}	126.9110	0.000	1	126.9110	0.000	1	126.9110	0.000	1	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]Cl)	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]N[6]HH)(CC[6a]Cl){1|H<1>,1|S<4>,2|C<4>}	130.4080	0.000	1	130.4080	0.000	1	130.4080	0.000	1	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	132.9850	0.000	1	132.9850	0.000	1	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	127.0780	0.000	1	127.0780	0.000	1	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[6]HH)(CC[6a]H){1|C<3>,1|S<4>,2|C<4>}	128.7187	2.515	3	128.7187	6.328	3	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]HH)(CC[6a]H){2|C<3>}	128.6230	0.000	1	128.6230	0.000	1	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>}	131.1300	0.000	1	131.1300	0.000	1	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]HH)(CC[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	128.8425	0.538	2	128.8425	0.290	2	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	129.0750	0.000	1	128.2935	1.221	2	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]N[6]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]HH)2(CC[6a]H){1|C<4>,2|S<4>}	127.5120	0.000	1	128.2935	1.221	2	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CC[6a]H){1|C<4>}	129.3150	0.000	1	129.3150	0.000	1	129.1299	3.600	12	129.1834	3.129	29	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:2:3:	3:2:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:C[6]-2:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	119.3915	1.098	2	119.3915	1.206	2	119.3915	1.206	2	119.3915	1.206	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.2105	0.078	2	120.2105	0.006	2	120.2105	0.006	2	122.9038	23.342	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	117.9080	0.000	1	117.9080	0.000	1	117.9080	0.000	1	122.9038	23.342	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:O-2:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(ORh)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	128.0950	0.000	2	128.0950	0.000	2	128.0950	0.000	2	122.9038	23.342	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	Se[6]-2:Se[6]-2:C-3:	C(C[6a]C[6a]2)(C[6]Se[6]2)(SeSe)	C[6a](C[6a]C[6a]C)2(CC[6]Se)	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se)	C(C[6a]C[6a]2)(C[6]Se[6]2)(SeSe)	C[6a](C[6a]C[6a]C)2(CC[6]Se){1|C<3>,2|H<1>}	C[6](Se[6]Se[6])(Se[6]C[6])(CC[6a]Se){1|Se<2>,1|C<3>}	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	2:4:3:	C[6]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-4:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CC[6a]C){2|C<3>}	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	123.9460	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-2:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.6830	0.000	1	120.6830	0.000	1	120.6830	0.000	1	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	117.3110	0.000	1	117.3110	0.000	1	118.3063	0.923	7	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	118.1912	0.731	4	118.1912	0.534	4	118.3063	0.923	7	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	119.0340	1.353	2	119.0340	1.832	2	118.3063	0.923	7	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6a]O){1|H<1>,3|C<3>}	126.4170	0.122	4	126.4170	0.015	4	126.4170	0.015	4	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	127.2020	0.000	1	125.5850	5.229	2	125.5850	5.229	2	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(N[6]S[6]C)(CC[6a]O){2|C<3>,2|O<1>}	123.9680	0.000	1	125.5850	5.229	2	125.5850	5.229	2	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	123.4560	0.000	1	123.4560	0.000	1	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	122.2870	0.000	1	122.2870	0.000	1	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OMn)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	122.9070	0.000	1	122.9070	0.000	1	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ONi)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	122.1095	0.571	4	122.1095	0.326	4	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORh)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORh)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	120.0510	0.000	1	120.0510	0.000	1	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	123.9120	0.000	1	123.9120	0.000	1	122.3390	1.309	9	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]H)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]C){1|N<3>,2|C<4>}	127.6320	0.000	1	127.6320	0.000	1	127.6320	0.000	1	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)2(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	128.2038	1.036	4	128.2038	1.073	4	128.2038	1.073	4	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]O)2(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	126.4980	0.000	1	126.4980	0.000	1	126.4980	0.000	1	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[6]S)	C[6](C[6]O[6]O)2(CC[6a]S)	C(C[6a]C[6a]2)(C[6]C[6]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[6]S){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]S){1|C<4>}	121.2730	0.000	1	121.2730	0.000	1	121.2730	0.000	1	123.1645	13.526	30	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(CC[6a]O){2|C<4>,2|H<1>}	128.2150	0.000	1	128.2150	0.000	1	128.2150	0.000	1	128.2150	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6]CoH)(N[6]C[6]Co)(CC[6a]O)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(OCo)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]CoH)(N[6]C[6]Co)(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	128.3255	0.760	2	128.3255	0.578	2	128.3255	0.578	2	124.6453	40.920	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CC[6a]N){1|C<4>,4|H<1>}	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	124.6453	40.920	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]C){1|N<3>,2|C<3>,2|H<1>}	124.2410	0.000	1	124.2410	0.000	1	124.2410	0.000	1	125.2377	0.745	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(OSi)	C[6a](C[6a]C[6a]H)2(CC[6]O)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[6]C[6]2)(OSi)	C[6a](C[6a]C[6a]H)2(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CC[6a]O){1|C<3>,2|C<4>,2|H<1>}	125.7360	0.000	2	125.7360	0.000	2	125.7360	0.000	2	125.2377	0.745	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|C<4>,1|N<2>}	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>}	124.8820	0.000	1	121.1755	27.476	2	121.1755	27.476	2	121.1755	27.476	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	N[6a]-2:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6])	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	C(C[6a]C[6a]N[6a])2(C[6]C[6]N[6])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<2>}	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>}	117.4690	0.000	1	121.1755	27.476	2	121.1755	27.476	2	121.1755	27.476	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNV)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCdN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.7760	1.116	3	120.7760	1.244	3	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NCuC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.9140	0.000	1	119.9140	0.000	1	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NFeN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	124.1225	1.486	4	124.1225	2.209	4	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	120.7275	1.104	2	120.7275	1.218	2	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NNiO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	122.2445	0.813	6	122.2445	0.661	6	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:N[6a]-2:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(NZnN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	121.8510	0.362	2	121.8510	0.131	2	122.0753	2.598	18	122.0251	2.502	19	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:2:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C-3:N[6a]-2:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a])	C[6](C[6]C[6]HH)2(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(CC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	122.1770	0.875	2	122.1770	0.766	2	122.1770	0.766	2	122.1770	0.766	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:N[6]-2:C-3:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){1|H<1>,2|C<3>}	127.0075	1.546	2	126.1907	1.266	6	126.1907	1.266	6	125.3543	5.952	7	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:N[6]-2:C-3:	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N)	C(C[6]N[6]O[6])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(N[6]C[6])(CC[6a]N){3|C<3>}	125.7823	0.803	4	126.1907	1.266	6	126.1907	1.266	6	125.3543	5.952	7	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	S[6]-2:S[6]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]C)	C[6](S[6]C[6])2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[6]S[6]2)(COO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6]C){1|H<1>,1|N<2>,3|C<3>}	C[6](S[6]C[6])2(CC[6a]C){1|C<4>,4|H<1>}	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	125.3543	5.952	7	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C[6]-3:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	121.7092	5.051	4	121.7092	25.513	4	121.7092	25.513	4	121.7092	25.513	4	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]C){1|H<1>,1|N<2>,3|C<3>}	121.4270	0.000	1	121.4270	0.000	1	122.0410	0.754	2	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6])(CC[6a]C){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	122.6550	0.000	1	122.6550	0.000	1	122.0410	0.754	2	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.7575	0.055	2	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:O[6]-2:C-3:	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6a]2){1|H<1>,1|N<2>,3|C<3>}	121.9240	0.000	1	121.9240	0.000	1	121.7575	0.055	2	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:O[6]-2:C-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2)	C(C[6]C[6]O[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(CC[6a]2){1|C<4>,4|H<1>}	121.9516	0.723	8	121.9516	0.523	8	121.9516	0.523	8	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-2:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	117.7390	0.000	1	117.7390	0.000	1	117.7390	0.000	1	121.6115	1.733	13	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O[6]-2:	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]N[6]O[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(CC[5a]C[6a])(O[6]C[6]){1|O<1>,2|C<3>}	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	123.1400	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-3:C[6]-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6])	C[6](CC[6a]C[5])(C[6]C[6]H)2	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]){1|C<3>,2|H<1>}	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	113.2160	0.000	1	113.2160	0.000	1	113.2160	0.000	1	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>}	117.8755	1.514	2	117.8755	2.292	2	117.4822	1.003	4	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[6]-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	117.0890	0.315	2	117.0890	0.099	2	117.4822	1.003	4	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-3:C[6]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]O)2	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]O)2{1|C<4>}	123.0200	0.000	1	123.0200	0.000	1	123.0200	0.000	1	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CC[6a]Zr)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(CC[6a]Zr)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C){1|C<3>,2|H<1>}	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	B[6]-3:C[6]-3:C-3:	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2)	C(C[6]B[6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2){7|C<3>}	121.5055	0.855	2	121.5055	0.731	2	121.5055	0.731	2	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|O<2>,2|H<1>,4|C<3>}	123.3955	1.398	4	122.8477	3.714	10	122.8477	3.714	10	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<2>,2|H<1>,4|C<3>}	122.1958	1.401	4	122.8477	3.714	10	122.8477	3.714	10	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6,6a]-3:C-3:	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2)	C(C[6]C[6,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]2){1|S<4>,2|H<1>,4|C<3>}	123.0560	4.322	2	122.8477	3.714	10	122.8477	3.714	10	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	125.4785	1.511	2	125.4785	2.283	2	123.7342	3.561	6	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	121.9620	1.703	2	121.9620	2.899	2	123.7342	3.561	6	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-3:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2){2|H<1>,3|C<3>}	123.7620	0.505	2	123.7620	0.255	2	123.7342	3.561	6	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[6]){1|C<3>,2|H<1>}	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>}	121.9880	0.000	1	121.9880	0.000	1	122.3035	0.199	2	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:N[6]-3:C-3:	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]2)	C(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	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>}	122.6190	0.000	1	122.6190	0.000	1	122.3035	0.199	2	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNV)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	122.0400	1.352	3	122.0400	1.828	3	122.0400	1.828	3	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NBiN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NBiN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	118.4860	0.000	1	118.4860	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Al)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	121.6286	1.396	21	121.6286	1.949	21	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	121.2340	0.000	1	121.0770	2.409	9	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.9580	0.904	2	121.0770	2.409	9	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	121.4238	1.744	6	121.0770	2.409	9	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	120.7130	0.516	3	120.7130	0.267	3	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Mg)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	118.6722	1.320	12	118.6722	1.742	12	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	118.9185	0.781	2	118.9185	0.611	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Pd)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.5570	0.361	2	119.5570	0.130	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Ru)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Sn)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Sn)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	116.6215	0.183	2	116.6215	0.034	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Zn)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Zn)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.6170	0.479	2	119.6170	0.230	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.1943	1.481	3	120.1943	2.192	3	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdO)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCdO)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.6933	0.518	3	119.6933	0.269	3	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.2965	1.544	2	119.2965	2.383	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	121.6410	0.000	1	121.6410	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	121.8582	0.999	4	121.8582	0.999	4	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NIrN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NIrN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMnN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMnN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.9045	1.266	2	120.9045	1.604	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMoC)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NMoC)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	118.6240	0.000	1	118.6240	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiC)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.2013	0.694	11	119.2013	0.482	11	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.6120	0.000	1	120.6120	0.000	1	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiO)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NNiO)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	121.9314	1.832	8	121.9314	3.358	8	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NOsO)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NOsO)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	122.4535	0.018	2	122.4535	0.000	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	119.1977	0.240	8	119.1977	0.057	8	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.2465	1.969	2	120.2465	3.878	2	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NSmO)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NSmO)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	121.0037	0.296	3	121.0037	0.088	3	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	120.5087	0.871	7	120.5087	0.759	7	120.3343	2.777	114	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Cu)	C[6a](C[6a]C[6a]H)2(CC[6]P)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Cu)	C[6a](C[6a]C[6a]H)2(CC[6]P){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	117.7120	0.099	2	117.7120	0.010	2	119.5651	2.674	7	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[6]P)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Fe)	C[6a](C[6a]C[6a]H)2(CC[6]P){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	119.4240	1.512	2	119.4240	2.286	2	119.5651	2.674	7	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[6]P)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PC[6a]Ni)	C[6a](C[6a]C[6a]H)2(CC[6]P){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P){1|C<3>,2|H<1>}	120.3890	0.071	2	120.3890	0.005	2	119.5651	2.674	7	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PNiC)	C[6a](C[6a]C[6a]H)2(CC[6]P)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(PNiC)	C[6a](C[6a]C[6a]H)2(CC[6]P){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P){1|C<3>,2|H<1>}	121.9060	0.000	1	121.9060	0.000	1	119.5651	2.674	7	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]H)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,2|H<1>}	116.0030	0.000	1	116.0030	0.000	1	118.7006	16.556	5	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHP)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	115.3780	0.000	1	115.3780	0.000	1	118.7006	16.556	5	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(COO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[6]C){1|H<1>,2|C<3>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	125.5810	0.000	1	125.5810	0.000	1	118.7006	16.556	5	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]H)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	117.9570	0.000	1	118.2705	0.197	2	118.7006	16.556	5	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]H)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CRuC)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>}	118.5840	0.000	1	118.2705	0.197	2	118.7006	16.556	5	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	119.6840	0.427	2	119.6840	0.182	2	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]O)2(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	123.0605	0.887	2	123.0605	0.788	2	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	124.0115	2.650	2	124.0115	7.020	2	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	124.6205	0.013	2	124.6205	0.000	2	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]O)2(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|N<2>,2|H<1>}	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	122.5180	0.000	1	122.5180	0.000	1	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]N)	C[6](C[6]C[6]H)2(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NNiC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]N){1|C<2>,2|H<1>}	117.8990	0.000	1	117.8990	0.000	1	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]H)2(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NPdN)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	117.9470	0.000	1	117.9470	0.000	1	121.9197	7.624	11	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(CC[6a]C[6]){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|H<1>}	121.7750	0.000	1	121.7750	0.000	1	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	122.1680	0.968	25	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|H<1>}	122.3647	1.455	3	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	122.8062	0.514	6	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){2|Br<1>,1|C<3>}	122.6990	1.450	2	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){2|Cl<1>,1|C<3>}	121.5172	1.283	16	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2){3|C<3>}	122.8130	0.000	1	122.0871	1.246	53	122.0813	1.224	54	120.9485	4.443	221	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:C[6]-4:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[5,6]Ni)(CC[5a]C[6a])(C[6]O[6]CH){1|C<3>,1|C<4>}	121.0265	2.471	2	121.0265	6.108	2	121.0265	6.108	2	121.0265	6.108	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HH)(N[6]C[6]){1|C<3>,1|C<4>}	116.8240	0.301	2	116.8240	0.091	2	118.0218	1.839	5	118.0218	1.839	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[5,6]){1|C<3>,1|C<4>}	120.0340	0.000	1	120.0340	0.000	1	118.0218	1.839	5	118.0218	1.839	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-4:N[6]-2:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6])	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]){1|C<3>,1|C<4>}	118.2135	0.521	2	118.2135	0.272	2	118.0218	1.839	5	118.0218	1.839	5	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-4:N[6]-3:	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni)	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]O[6]HO)(N[6]C[6]Ni){1|C<3>,1|C<4>}	120.8918	1.109	4	120.8918	1.230	4	120.8918	1.230	4	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]C){1|C<4>,2|C<3>,3|H<1>}	123.5465	0.452	2	123.5465	0.204	2	123.5465	0.204	2	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	123.5930	0.028	2	123.5930	0.001	2	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	124.5995	0.333	2	124.3250	0.139	4	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	124.0505	0.070	2	124.3250	0.139	4	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	123.1695	0.729	2	123.1695	0.531	2	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2){1|C<4>,1|H<1>,3|C<3>}	123.1530	0.000	1	123.1530	0.000	1	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CC[6a]C[6]){1|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]2){1|C<4>,1|H<1>,3|C<3>}	122.1010	0.000	1	122.1010	0.000	1	123.6079	0.652	10	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6]-4:C-3:	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N)	C(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(NSS)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CC[6a]N){3|C<3>,3|H<1>}	128.6060	0.000	1	128.6060	0.000	1	128.6060	0.000	1	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:P[6]-4:C-3:	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N)	C(C[6]C[6]P[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(P[6]O[6]OO)(CC[6a]N){2|C<3>}	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	123.1661	3.800	18	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	3:4:4:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[6]-4:C[6]-4:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[6])	C[6](CC[5a]C[6a])(C[6]C[6]HH)2	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](CC[5a]C[6a])(C[6]C[6]HH)2{1|N<4>,4|H<1>}	122.0095	0.457	2	122.0095	0.209	2	122.0095	0.209	2	122.0095	0.209	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:C[6]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6])	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>}	115.0620	0.382	2	115.0620	0.146	2	115.0620	0.146	2	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-3:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]C)(CC[6a]2){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	122.4575	0.407	2	122.4575	0.165	2	122.4575	0.165	2	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:N[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]CoH)(N[6]C[6]Co)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]Co)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]CoH)(N[6]C[6]Co)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	120.6055	0.028	2	120.6055	0.001	2	120.6055	0.001	2	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]C){1|C<4>,4|H<1>}	114.9323	0.339	4	114.9323	0.115	4	114.9323	0.115	4	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]C)(CC[6a]C){1|C<4>,2|H<1>}	119.7640	0.000	1	119.7640	0.000	1	118.6905	2.305	2	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(CC[6a]C){1|C<3>,1|C<4>,3|H<1>}	117.6170	0.000	1	117.6170	0.000	1	118.6905	2.305	2	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	121.0945	6.143	2	121.0945	37.732	2	122.1388	16.203	4	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC[6a]2){1|N<3>,4|H<1>}	123.1830	2.553	2	123.1830	6.516	2	122.1388	16.203	4	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:N-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(CC[6a]N){1|C<4>,2|H<1>}	126.3790	0.000	1	126.3790	0.000	1	126.3790	0.000	1	119.3114	16.890	17	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[6]-4:C-3:	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CC[6a]2)	C(C[6]C[5,6]C[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CC[6a]2){3|C<4>,3|H<1>}	123.7755	0.839	2	123.7755	0.704	2	123.7755	0.704	2	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C[6]-4:C-3:	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N)	C(C[6]C[6,6]C[6])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CC[6a]N){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	123.6930	0.000	1	123.6930	0.000	1	123.6930	0.000	1	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N)	C(C[6a]C[6a]2)(C[6]C[6]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]N){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	124.9730	1.979	3	124.9730	3.917	3	124.9730	3.917	3	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	119.7350	0.000	1	119.7350	0.000	1	122.3370	3.130	4	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6])	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CC[6a]2){1|C<4>,1|O<1>}	123.4790	0.000	1	123.4790	0.000	1	122.3370	3.130	4	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6])	C[6](C[6]C[6]HH)2(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)2(CC[6a]2){1|N<3>,4|H<1>}	123.0670	0.501	2	123.0670	0.251	2	122.3370	3.130	4	123.5511	3.335	10	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:S[6]-2:C-3:	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|H<1>,1|O<1>,1|S<2>}	120.6520	0.000	1	121.1170	0.432	2	121.7613	1.462	3	121.7613	1.462	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:S[6]-2:C-3:	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|N<2>,1|O<1>}	121.5820	0.000	1	121.1170	0.432	2	121.7613	1.462	3	121.7613	1.462	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:S[6]-2:C-3:	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C)	C(C[6]O[6]S[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](O[6]C[6])(S[6]C[6])(CC[6a]C){1|C<4>,1|O<1>,1|S<1>}	123.0500	0.000	1	123.0500	0.000	1	121.7613	1.462	3	121.7613	1.462	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	O[6]-2:C-3:C[6]-3:	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H)	C(C[6]C[6]O[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H){1|H<1>,2|C<3>}	120.7380	0.863	3	120.7380	0.745	3	120.7380	0.745	3	120.7380	0.745	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	2:4:3:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	S[6]-2:C[6]-4:C-3:	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6])	C(C[6]C[6]S[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CC[6a]P[6]){1|H<1>,1|O<2>,2|C<3>}	122.0503	1.262	3	122.0503	1.593	3	122.0503	1.593	3	122.0503	1.593	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:C[6,6a]-3:C-3:	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	121.6875	0.049	2	121.6875	0.002	2	121.6875	0.002	2	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-3:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]AlH)	C[6a](C[6a]C[6a]H)2(CC[6]N)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C(C[6]C[6]N[6])(C[6a]C[6a]2)(NC[6a]AlH)	C[6a](C[6a]C[6a]H)2(CC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	125.4548	1.827	5	125.4548	3.339	5	125.4548	3.339	5	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	123.4640	0.000	1	123.4640	0.000	1	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	114.1400	0.000	1	114.1400	0.000	1	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	122.6120	0.000	1	122.6120	0.000	1	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	121.9515	0.931	2	121.8968	0.427	9	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	121.8167	0.618	4	121.8968	0.427	9	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	121.6135	0.781	2	121.8968	0.427	9	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]O[6]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){2|Cl<1>,1|C<3>}	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	122.6740	0.000	1	121.8968	0.427	9	121.4406	5.823	12	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:N[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](N[6]C[6]C)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]N[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](N[6]C[6]C)2(CC[6a]C){1|C<4>,2|O<1>}	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	122.4968	7.164	20	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	3:4:3:	C[6]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C[6]-4:C-3:	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6])	C[6](N[6]C[6,6a]S)(C[6]C[6]HH)(CC[6a]P[6])	C(C[6]C[6]N[6])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[6]P[6]){1|C<3>,2|H<1>}	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>}	122.8150	0.612	2	122.8150	0.375	2	122.8150	0.375	2	122.8150	0.375	2	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-3:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HO)(C[6]O[6]O)(CC[6a]C){2|C<3>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	4:4:3:	C[6]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	B[6]-4:C[6]-4:C-3:	C(C[6]B[6]C[6])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6]Si)	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si)	C(C[6]B[6]C[6])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[6]Si){1|C<3>,2|H<1>}	C[6](B[6]C[6a]2O[6])(C[6]C[6]HH)(CC[6a]Si){1|P<4>,2|H<1>,4|C<3>}	119.7820	0.000	1	119.7820	0.000	1	119.7820	0.000	1	121.4577	2.230	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]N[6]HH)(CC[6a]C){1|C<4>,1|S<4>,2|H<1>}	121.9430	0.000	1	121.9430	0.000	1	122.2955	0.249	2	121.4577	2.230	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	762	0:SP2_SP2_SP2	C	C[6a]	C[6]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6]-4:C[6]-4:C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C)	C[6](C[6]C[6]HH)2(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2)(CHHN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[6]C){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)2(CC[6a]C){1|C<4>,4|H<1>}	122.6480	0.000	1	122.6480	0.000	1	122.2955	0.249	2	121.4577	2.230	3	125.0323	24.492	1088	125.0855	24.497	1116
930	643	769	0:SP2_SP2_SP2	C	C[6a]	C[4a]	3:3:3:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[4a,6a]-3:C[4a]-3:C-3:	C(C[4a]C[4a,6a]C[4a])(C[6a]C[6a]2)2	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2	C[4a](C[4a,6a]C[4a,6a]C[6a])(C[4a]C[4a,6a]C)(CC[6a]2)	C(C[4a]C[4a,6a]C[4a])(C[6a]C[6a]2)2	C[6a](CC[4a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[4a](C[4a,6a]C[4a,6a]C[6a])(C[4a]C[4a,6a]C)(CC[6a]2){3|C<3>}	122.8642	2.361	4	122.8642	5.574	4	122.8642	5.574	4	122.8642	5.574	4	122.8642	5.574	4	122.8642	5.574	4
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C-3:Br-1:Br-1:	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	C[6a](C[6a]C[6a]H)2(CBC)	B(CC[6a]C)(Br)2	C(C[6a]C[6a]2)(CC[6a]Br)(BBr2)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(CC[6a]C)(Br)2	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	117.5940	0.000	1	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:Cl-1:	C(C[6a]C[6a]2)(BClN)(CPtH)	C[6a](C[6a]C[6a]H)2(CBC)	B(CC[6a]C)(NSi2)(Cl)	C(C[6a]C[6a]2)(BClN)(CPtH)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(CC[6a]C)(NSi2)(Cl)	118.0170	0.208	2	118.0170	0.043	2	118.0170	0.043	2	118.0170	0.043	2	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(OB)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OB)	113.7260	0.064	2	113.7260	0.004	2	115.0899	4.696	14	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(OC)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC)	116.6610	1.814	5	116.6610	3.289	5	115.0899	4.696	14	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6])	111.8510	0.000	1	111.8510	0.000	1	115.0899	4.696	14	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	113.7510	0.000	1	113.7510	0.000	1	115.0899	4.696	14	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-2:	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(ON)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(ON)	114.9800	2.207	5	114.9800	4.871	5	115.0899	4.696	14	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]Te)(BCO)	C[6a](C[6a]C[6a]F)2(CBC)	B(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CC[6a]Te)(BCO)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(CC[6a]C)(CCH)(OC)	116.2970	0.713	2	116.2970	0.508	2	116.5272	5.265	6	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]Te)(BCO)	C[6a](C[6a]C[6a]F)2(CBC)	B(CC[6a]C)2(OC)	C(C[6a]C[6a]2)(CC[6a]Te)(BCO)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(CC[6a]C)2(OC)	116.6423	2.924	4	116.6423	8.552	4	116.5272	5.265	6	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	C[6a](C[6a]C[6a]C)2(CBN)	B(C[6a]C[6a]2)(CC[6a]N)(CN)	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	C[6a](C[6a]C[6a]C)2(CBN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]N)(CN)	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	115.6705	5.271	21	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC[6a]C)2	115.6227	0.517	4	115.6227	0.267	4	115.6227	0.267	4	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	116.7430	0.000	1	116.7430	0.000	1	116.9425	0.080	2	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	117.1420	0.000	1	117.1420	0.000	1	116.9425	0.080	2	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CBH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	120.2980	0.000	1	120.2980	0.000	1	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC){1|Br<1>,1|C<3>,1|H<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	119.0960	0.000	1	119.8085	0.377	4	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CB[5]H)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	120.0460	0.476	3	119.8085	0.377	4	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CCC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	113.0870	0.000	1	113.0870	0.000	1	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	119.5870	2.416	5	119.5870	5.835	5	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CC[3]H)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	117.1910	0.000	1	117.1910	0.000	1	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	115.7995	0.351	2	115.7995	0.124	2	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CRuH)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CRuH)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	115.6060	0.000	1	115.6060	0.000	1	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]2)(CSiC)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	111.8650	0.000	1	111.8650	0.000	1	117.9259	8.887	16	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N-3:C-3:	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	119.9460	0.830	2	119.9460	0.689	2	119.9460	0.689	2	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	C[6a](C[6a]C[6a]C)2(CBN)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	C[6a](C[6a]C[6a]C)2(CBN){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]N)	121.8497	1.312	3	121.8497	1.722	3	121.8497	1.722	3	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Te)(BC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Te)(BC[6a]C)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)(CC[6a]C)2	117.6990	0.588	5	117.6990	0.345	5	117.5018	1.012	10	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Te)(BC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Te)(BC[6a]C)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)2	117.3046	1.355	5	117.3046	1.835	5	117.5018	1.012	10	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:B-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC)	B(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]Si)(BC[6a]2)	C[6a](C[6a]C[6a]F)2(CBC){1|C<3>,2|F<1>}	B(C[6a]C[6a]2)2(CC[6a]C)	110.8830	0.000	1	110.8830	0.000	1	110.8830	0.000	1	117.7509	7.437	38	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N-3:	C(C[6a]C[6a]2)(BC[5]N)(CBC)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(BC[5]N)(CBC)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	116.0025	0.045	2	116.0025	0.002	2	115.4110	0.517	4	115.4110	0.517	4	116.9528	6.971	66	116.9528	6.971	66
930	643	770	0:SP2_SP2_SP2	C	C[6a]	B	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N-3:	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	C[6a](C[6a]C[6a]H)2(CBC)	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	C(C[6a]C[6a]2)(BC[5]N)(CSiB)	C[6a](C[6a]C[6a]H)2(CBC){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	114.8195	0.387	2	114.8195	0.150	2	115.4110	0.517	4	115.4110	0.517	4	116.9528	6.971	66	116.9528	6.971	66
930	643	778	0:SP2_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:1:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:O-1:	C-3:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(O)	C[6a](CC[3x3,4,3x5,14x6]O)(C[6a]C[6a]H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]O)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(O)	C[6a](CC[3x3,4,3x5,14x6]O)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]O){1|B<6>,1|C<3>,5|H<1>}	121.8560	1.945	2	121.8560	3.781	2	121.8560	3.781	2	121.8560	3.781	2	120.4013	4.564	4	120.4013	4.564	4
930	643	778	0:SP2_SP2_SPD5	C	C[6a]	C[3x3,4,3x5,14x6]	5:3:3:	3:3:3:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C-3:	C-3:C[6a]-3:C[6a]-3:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:C-3:	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(CC[6]Zr)	C[6a](CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]C)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)(CC[6]Zr)	C[6a](CC[3x3,4,3x5,14x6]C)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(CC[6a]C){1|Zr<14>,1|B<6>,5|H<1>}	118.9465	1.203	2	118.9465	1.447	2	118.9465	1.447	2	118.9465	1.447	2	120.4013	4.564	4	120.4013	4.564	4
930	643	786	0:SP2_SP2_SP3	C	C[6a]	B[5,5]	4:3:3:	3:3:3:	4:2:2:3:	B[5,5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5,5]-4:O[5]-2:O[5]-2:C-3:	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5,5]C)	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CB[5,5]C){1|C<3>,2|H<1>}	B[5,5](N[5,5]C[5]2C)(O[5]C[5])2(CC[6a]C){2|O<1>,4|H<1>}	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	120.2747	0.151	3
930	643	786	0:SP2_SP2_SP3	C	C[6a]	B[5]	4:3:3:	3:3:3:	3:3:3:3:	B[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5,5]-3:N[5]-3:C[6a]-3:C-3:	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	B[5](N[5,5]C[5,5,6]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]C)	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	B[5](N[5,5]C[5,5,6]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]C){1|C<4>,1|S<1>,1|S<2>,2|H<1>,6|C<3>}	120.4890	0.163	2	120.4890	0.026	2	120.4890	0.026	2	120.4890	0.026	2	120.4890	0.026	2	120.2747	0.151	3
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClO){1|H<1>,2|C<3>}	Cl(CC[6a]O)	115.0080	0.000	1	115.0080	0.000	1	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO){1|C<3>,1|F<1>,1|H<1>}	Cl(CC[6a]O)	114.5255	0.113	4	114.5675	0.064	6	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CClO){1|C<3>,2|H<1>}	Cl(CC[6a]O)	114.6515	0.513	2	114.5675	0.064	6	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]F)2(CClO){1|C<3>,2|H<1>}	Cl(CC[6a]O)	114.7000	0.061	2	114.7000	0.004	2	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,1|H<1>,1|N<2>}	Cl(CC[6a]O)	115.5980	0.000	1	115.3475	0.263	13	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,2|F<1>}	Cl(CC[6a]O)	114.9990	0.542	3	115.3475	0.263	13	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|C<3>,2|H<1>}	Cl(CC[6a]O)	115.6966	0.409	5	115.3475	0.263	13	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){1|H<1>,2|C<3>}	Cl(CC[6a]O)	115.6370	0.000	1	115.3475	0.263	13	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:1:1:	3:3:3:	3:	C[6a]-3:Cl-1:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO)	Cl(CC[6a]O)	C(C[6a]C[6a]2)(Cl)(O)	C[6a](C[6a]C[6a]H)2(CClO){3|C<3>}	Cl(CC[6a]O)	114.9343	0.367	3	115.3475	0.263	13	115.0605	0.299	22	115.0605	0.299	22	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:2:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]N[6a])(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClN){1|H<1>,2|C<3>}	Cl(CC[6a]N)	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	115.0450	0.000	1	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[5a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]2)(NC[5a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	Cl(CC[6a]N)	116.0040	0.000	1	116.0040	0.000	1	116.6623	1.459	7	116.6623	1.459	7	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CClN){2|C<3>}	Cl(CC[6a]N)	114.7280	0.000	1	114.7280	0.000	1	116.6623	1.459	7	116.6623	1.459	7	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a])(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	Cl(CC[6a]N)	115.7150	0.000	1	115.7150	0.000	1	116.6623	1.459	7	116.6623	1.459	7	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NN)(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]2)(NN)(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	Cl(CC[6a]N)	117.2105	0.070	2	117.2105	0.005	2	116.6623	1.459	7	116.6623	1.459	7	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN)	Cl(CC[6a]N)	C(C[6a]C[6a]2)(NO)(Cl)	C[6a](C[6a]C[6a]H)2(CClN){1|C<3>,2|H<1>}	Cl(CC[6a]N)	117.8840	0.298	2	117.8840	0.089	2	116.6623	1.459	7	116.6623	1.459	7	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	2:2:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	S[6a]-2:S[6a]-2:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](S[6a]S[6a])2(CC[6a]Cl)	Cl(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](S[6a]S[6a])2(CC[6a]Cl){1|C<3>}	Cl(CC[6a]2)	117.0700	0.663	2	117.0700	0.440	2	117.0700	0.440	2	117.0700	0.440	2	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CCC)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]N[6a])(CCC)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	Cl(CC[6a]C)	112.6730	0.000	1	112.6730	0.000	1	113.7930	1.612	3	113.7930	1.612	3	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	2:3:3:	3:	C[6a]-3:C-3:Cl-1:	N[6a]-2:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]Cl)(Cl)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]Cl)(CClC){2|C<3>}	Cl(CC[6a]C)	114.3530	1.158	2	114.3530	1.342	2	113.7930	1.612	3	113.7930	1.612	3	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:2:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:N[6a]-2:C-3:	C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(Cl)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CClC){1|N<2>,2|H<1>}	Cl(CC[6a]C)	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	112.8700	0.000	1	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|C<4>}	Cl(CC[6a]C[5])	114.1940	0.000	1	113.7135	0.462	2	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	113.2330	0.000	1	113.7135	0.462	2	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	113.0900	0.000	1	113.0900	0.000	1	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	113.7502	0.910	9	113.7502	0.829	9	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	111.9465	0.776	2	111.9465	0.602	2	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	115.7645	0.158	2	115.7645	0.025	2	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[5]C[5]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	115.8990	0.107	2	115.8990	0.012	2	113.9716	1.832	18	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CCC)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	111.8990	1.541	2	111.8990	2.376	2	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	Cl(CC[6a]C)	115.6080	0.000	1	115.6080	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	114.8079	0.634	13	114.8079	0.401	13	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CCN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CCN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	113.0700	0.000	1	113.0700	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Cl)(Cl)	C[6a](C[6a]C[6a]Cl)2(CClC){2|Cl<1>,1|C<3>}	Cl(CC[6a]C)	113.9495	0.234	2	113.9495	0.055	2	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CClC){1|H<1>,2|C<3>}	Cl(CC[6a]C)	114.6100	0.000	1	114.6100	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]H)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	114.5157	0.203	4	114.5157	0.041	4	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	112.8480	0.000	1	112.8480	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHH)(Cl)	C[6a](C[6a]C[6a]O)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CHH)(Cl)	C[6a](C[6a]C[6a]O)2(CClC){1|H<1>,2|C<3>}	Cl(CC[6a]C)	115.4570	0.000	1	115.4570	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CHI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC){1|H<1>,4|C<3>}	Cl(CC[6a]C)	115.2505	0.849	2	115.2505	0.721	2	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CHN)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	114.4250	0.000	1	114.4250	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]C[6a]H)2(CClC){1|C<3>,2|H<1>}	Cl(CC[6a]C)	113.4627	0.653	3	113.4627	0.427	3	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CHS)(Cl)	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(CClC){1|C<3>,1|C<4>,1|H<1>}	Cl(CC[6a]C)	114.8650	0.000	1	114.8650	0.000	1	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(CSiI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC)	Cl(CC[6a]C)	C(C[6a]C[6a]2)(CSiI)(Cl)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CClC){1|H<1>,4|C<3>}	Cl(CC[6a]C)	111.8410	1.245	2	111.8410	1.549	2	114.2205	1.432	35	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[4]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl)	Cl(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[4]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[4])	116.2160	0.631	3	116.2160	0.398	3	116.2160	0.398	3	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,1|H<1>,1|O<2>}	Cl(CC[6a]C[5])	111.5490	0.000	1	112.1134	0.413	7	112.1134	0.413	7	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	Cl(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[5])	112.2075	0.649	6	112.1134	0.413	7	112.1134	0.413	7	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]Cl)	Cl(CC[6a]C[6])	C(C[6a]C[6a]2)(C[6]C[6]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]C[6])	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	790	0:SP2_SP-NON_SP2	C	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]Cl)	Cl(CC[6a]2)	C(C[6a]C[6a]2)(C[6a]S[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[6a]Cl){1|C<3>,2|H<1>}	Cl(CC[6a]2)	115.6335	0.067	2	115.6335	0.005	2	115.6335	0.005	2	113.9822	2.395	66	114.4532	2.467	102	114.4532	2.467	102
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(CN[5a]O){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	115.2990	0.000	1	115.2990	0.000	1	115.7753	1.677	3	115.7753	1.677	3	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	116.0135	1.736	2	116.0135	3.014	2	115.7753	1.677	3	115.7753	1.677	3	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a,6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(CN[5a]O){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	119.9580	0.000	1	119.9580	0.000	1	119.9580	0.000	1	120.4845	0.857	4	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(C[6a]C[6a]N[6a])(N[5a]C[5a,6a]2)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	120.8775	1.385	2	120.8775	1.919	2	120.8775	1.919	2	120.4845	0.857	4	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:2:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:N[6a]-2:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	120.2250	0.000	1	120.2250	0.000	1	120.2250	0.000	1	120.4845	0.857	4	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	115.9550	0.000	1	115.9550	0.000	1	115.9550	0.000	1	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]N[5a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	117.6750	0.246	2	117.6750	0.061	2	117.6750	0.061	2	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6]-3:N[5a]-2:C-3:	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a,6]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	119.4425	0.054	2	119.4425	0.003	2	119.4425	0.003	2	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	117.6180	1.773	2	117.6180	3.145	2	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	114.6520	0.263	2	114.6520	0.069	2	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	116.1090	0.000	1	116.1090	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|H<1>}	115.0490	0.000	1	115.0490	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	115.6470	0.000	1	115.6470	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	115.1740	0.413	2	115.1740	0.171	2	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	116.1220	0.000	1	116.1220	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(CN[5a]O){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	117.5530	0.000	1	117.5530	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O){1|C<4>,1|N<3>}	120.4970	0.000	1	120.4970	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	118.0350	0.000	1	117.3617	3.499	6	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	118.2340	0.000	1	117.3617	3.499	6	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	116.9753	2.286	4	117.3617	3.499	6	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	117.7740	0.000	1	118.1723	0.120	3	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	118.4020	0.000	1	118.1723	0.120	3	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	118.3410	0.000	1	118.1723	0.120	3	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	117.8755	0.870	2	117.8755	0.758	2	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|N<2>}	114.8260	0.000	1	114.8260	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>}	115.8140	0.000	1	115.8140	0.000	1	116.8377	2.999	25	117.0378	2.986	30	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(N[5a]C[5a]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CN[5a]O){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(CC[6a]O){1|H<1>}	115.7850	0.625	2	115.7850	0.391	2	115.7850	0.391	2	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(CC[6a]O){1|H<1>}	116.0510	0.000	1	116.0510	0.000	1	118.6972	10.162	4	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,2|C<3>}	119.0000	0.000	1	119.0000	0.000	1	118.6972	10.162	4	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	123.0820	0.000	1	123.0820	0.000	1	118.6972	10.162	4	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]O){2|H<1>}	116.6560	0.000	1	116.6560	0.000	1	118.6972	10.162	4	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,5a]-3:C[5a,5a]-3:C-3:	C(N[5a]C[5a,5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O)	C(N[5a]C[5a,5a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,5a]C[5a,5a]C[5a])2(CC[6a]O){2|C<3>,2|H<1>,2|S<2>}	116.8640	0.000	1	116.8640	0.000	1	116.8640	0.000	1	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C-3:	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O)	C(N[5a]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a,6]O[6])(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	118.3850	0.000	1	118.3850	0.000	1	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	118.7043	1.059	3	118.7043	1.121	3	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	118.9380	0.000	1	118.9380	0.000	1	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|Br<1>,1|C<3>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	117.2440	0.000	1	118.1346	0.587	10	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,1|F<1>,1|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	118.0250	0.000	1	118.1346	0.587	10	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]O){2|H<1>,4|C<3>}	118.2596	0.789	8	118.1346	0.587	10	118.3188	0.621	15	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]Cl)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	117.9420	0.000	1	117.9420	0.000	1	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	116.9360	0.034	2	116.9360	0.001	2	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	117.8215	1.438	14	117.8215	2.068	14	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	117.8340	0.000	1	118.1630	0.216	2	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]O){1|H<1>,5|C<3>}	118.4920	0.000	1	118.1630	0.216	2	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	117.2160	1.624	2	117.0931	0.541	7	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){1|H<1>,3|C<3>}	117.0110	0.000	1	117.0931	0.541	7	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CN[5a]O){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]O){2|C<3>,2|H<1>}	117.0523	0.435	4	117.0931	0.541	7	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(CN[5a]O){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[5])(CC[6a]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	124.9720	0.000	1	124.9720	0.000	1	117.8617	3.345	27	117.9441	2.910	50	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	4:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5a]-4:N[5a]-2:C-3:	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CN[5a]H){1|C<3>,2|H<1>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	130.2830	0.000	1	130.2830	0.000	1	130.3682	1.283	4	130.3682	1.283	4	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:1:	3:3:3:	4:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	B[5a]-4:N[5a]-2:C-3:	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]H)	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	C(N[5a]B[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CN[5a]H){1|C<3>,2|H<1>}	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	130.3967	1.385	3	130.3967	1.919	3	130.3682	1.283	4	130.3682	1.283	4	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:2:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:N[5a]-2:C-3:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[3]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,1|H<1>,1|O<2>}	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	111.5410	0.000	1	111.5410	0.000	1	113.9972	4.923	5	113.9972	4.923	5	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:N[5a]-2:C-3:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CC[6a]I)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,1|H<1>,1|O<2>}	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	113.6670	1.618	2	113.6670	2.617	2	113.9972	4.923	5	113.9972	4.923	5	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:N[5a]-2:C-3:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CHI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	117.2830	0.000	1	117.2830	0.000	1	113.9972	4.923	5	113.9972	4.923	5	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5a]-2:N[5a]-2:C-3:	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](N[5a]C[5a,6a])2(CC[6a]C)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CSiI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a])2(CC[6a]C){2|C<3>}	113.8280	0.000	1	113.8280	0.000	1	113.9972	4.923	5	113.9972	4.923	5	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:N[5a]-2:C-3:	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C)	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	116.2975	0.050	2	116.2975	0.003	2	116.2975	0.003	2	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CBrI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C){1|C<4>}	114.4660	0.000	1	114.4660	0.000	1	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	115.5690	0.646	6	115.3489	0.687	7	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	114.0280	0.000	1	115.3489	0.687	7	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){2|C<3>}	113.1330	0.279	2	113.1330	0.078	2	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	116.0000	0.000	1	116.0000	0.000	1	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	113.4860	0.000	1	113.4860	0.000	1	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	114.9690	0.000	1	114.9690	0.000	1	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:N[5a]-2:C-3:	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	115.5093	0.522	3	115.5093	0.272	3	114.9473	1.125	16	115.0973	1.184	18	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a]-3:C[5a]-3:C-3:	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C)	C(C[6a]C[6a]2)(N[5a]C[5a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(C[5a]C[5a]H)(CC[6a]C){1|C<3>,1|H<1>}	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C[5])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5])	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C[5]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(CC[6a]C[5]){2|C<3>,2|H<1>}	115.2195	0.268	2	115.2195	0.072	2	115.2195	0.072	2	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	113.6950	0.512	2	113.6950	0.262	2	114.1737	0.818	3	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	115.1310	0.000	1	115.1310	0.000	1	114.1737	0.818	3	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	115.5865	0.356	2	115.5865	0.127	2	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	116.4660	0.000	1	116.4660	0.000	1	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])(CC[6a]C){1|H<1>,5|C<3>}	117.0560	0.000	1	117.0560	0.000	1	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(CC[6a]C){1|H<1>,2|C<3>}	115.7030	0.000	1	115.7030	0.000	1	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	115.9450	0.158	2	115.9450	0.025	2	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN[6a]H)	C[6a](C[6a]C[6a]H)2(CN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)(CC[6a]C){2|C<3>,2|H<1>}	116.8590	0.000	1	116.8590	0.000	1	116.1434	0.356	8	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	813	0:SP2_SP2_SP2	C	C[6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a,6a]-3:C-3:	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)2(CC[6a]N[5a]){1|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(CC[6a]2){1|N<2>,2|H<1>,3|C<3>}	118.4245	0.395	2	118.4245	0.156	2	118.4245	0.156	2	115.8826	1.865	16	117.3393	9.497	131	117.3393	9.497	131
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,5]	3:3:3:	3:3:2:	4:4:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:N[6a]-2:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a])	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2)	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	123.7440	0.000	1	121.5588	4.283	6	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:4:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2)	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]H)2(CC[6a]2){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	121.1540	2.608	2	121.1540	6.801	2	121.1218	3.921	5	121.1218	3.921	5	121.5588	4.283	6	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:4:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]2)	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]2)2	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]2){8|H<1>}	122.0840	1.754	2	122.0840	3.075	2	121.1218	3.921	5	121.1218	3.921	5	121.5588	4.283	6	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,5]	3:3:3:	3:3:3:	4:4:3:	C[5,5]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2)	C(C[5,5]C[5,5,6]2)(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](CC[5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5,5](C[5,5,6]C[5,5,6]C[5,6]H)2(CC[6a]2){1|C<4>,2|C<3>,3|H<1>}	119.1330	0.000	1	119.1330	0.000	1	121.1218	3.921	5	121.1218	3.921	5	121.5588	4.283	6	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5,6]H){1|C<3>,2|F<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H){1|C<4>,5|H<1>}	127.6653	0.406	4	127.6653	0.165	4	127.7782	0.479	8	127.7782	0.479	8	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CC[6a]H){1|C<4>,5|H<1>}	127.8912	0.958	4	127.8912	0.918	4	127.7782	0.479	8	127.7782	0.479	8	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5,6]H){1|C<3>,1|H<1>,1|O<2>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	130.5140	0.000	1	130.5140	0.000	1	128.9357	2.151	3	128.8820	1.445	4	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5,6]H){1|H<1>,2|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	127.6150	0.000	1	127.6150	0.000	1	128.9357	2.151	3	128.8820	1.445	4	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-4:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6a]H)(CC[6a]H){1|C<4>,2|C<3>,5|H<1>}	128.6780	0.000	1	128.6780	0.000	1	128.9357	2.151	3	128.8820	1.445	4	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:1:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6]-4:C-3:	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H)	C(C[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5,6]H){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5,6]C[5]H)(CC[6a]H){2|H<1>,6|C<3>}	128.7210	0.000	1	128.7210	0.000	1	128.7210	0.000	1	128.8820	1.445	4	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OCu)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	121.9470	0.259	2	121.9470	0.067	2	122.4097	5.259	7	122.4097	5.259	7	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	126.8530	0.000	1	126.8530	0.000	1	122.4097	5.259	7	122.4097	5.259	7	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OIr)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(OIr)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	121.2760	0.000	1	121.2760	0.000	1	122.4097	5.259	7	122.4097	5.259	7	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,6]-3:C-3:	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O)	C(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(ORu)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]O){2|H<1>,4|C<4>}	121.6150	2.017	3	121.6150	4.069	3	122.4097	5.259	7	122.4097	5.259	7	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:2:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C(C[5,6]C[5,5,6]2)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5,6]O)	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O)	C(C[5,6]C[5,5,6]2)(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5,6]O){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[3x5,6]C[6a]C[5])(C[5,5,6]C[5,6]O[5,5]H)(CC[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	126.8305	0.663	2	126.8305	0.439	2	126.8305	0.439	2	126.8305	0.439	2	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5,6]	3:3:3:	3:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:C[6a]-3:	C-3:C[6a]-3:C[6a]-3:	C[3,5,6]-4:C[5,6,6]-4:C-3:	C(C[5,6]C[3,5,6]C[5,6,6])(C[6a]C[6a]2)2	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2)	C(C[5,6]C[3,5,6]C[5,6,6])(C[6a]C[6a]2)2	C[6a](CC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6]C[6,6]H)(CC[6a]2){3|C<3>,3|H<1>}	122.3490	1.027	4	122.3490	1.055	4	122.3490	1.055	4	122.3490	1.055	4	125.5072	10.009	25	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	2:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	N[6a]-2:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	129.8225	0.910	2	129.8225	0.828	2	129.8225	0.828	2	129.8225	0.828	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	2:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](S[5]C[5])2(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]H){2|C<4>}	126.4260	0.000	1	126.4260	0.000	1	126.4260	0.000	1	126.4260	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|S<2>}	129.6605	0.128	2	129.6605	0.016	2	129.6605	0.016	2	128.9992	3.631	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-3:O[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	130.0200	0.000	1	130.0330	0.000	2	130.0330	0.000	2	128.9992	3.631	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-3:O[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	130.0460	0.000	1	130.0330	0.000	2	130.0330	0.000	2	128.9992	3.631	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-3:S[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	125.6090	0.000	1	125.6090	0.000	1	125.6090	0.000	1	128.9992	3.631	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	N[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|C<4>,2|H<1>,3|C<3>}	127.2870	0.000	2	127.2870	0.000	2	127.2870	0.000	2	127.2870	0.000	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	129.3210	1.377	3	129.3210	1.895	3	129.3210	1.895	3	129.3210	1.895	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5,5]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	128.2276	1.899	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5,6]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H){2|C<4>,5|H<1>}	130.0340	0.000	1	130.0340	0.000	1	130.0340	0.000	1	128.2276	1.899	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	128.8240	0.000	1	128.8240	0.000	1	128.8240	0.000	1	128.2276	1.899	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:2:3:	4:4:3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:N[6a]-2:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C(C[6a]C[6a]N[6a])(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	127.8225	1.054	2	127.8225	1.112	2	127.8225	1.112	2	128.2276	1.899	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-2:O[5]-2:C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	129.5760	0.000	1	129.9575	0.291	2	129.9575	0.291	2	129.7879	0.306	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-2:O[5]-2:C-3:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H)	C(C[5]N[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.3390	0.000	1	129.9575	0.291	2	129.9575	0.291	2	129.7879	0.306	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](S[5]C[5])2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	C[5](S[5]C[5])2(CC[6a]H){2|C<3>}	129.8540	0.000	1	129.8540	0.000	1	129.7313	0.355	6	129.7879	0.306	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](S[5]C[5])2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]H){2|S<2>}	129.6990	0.765	4	129.7068	0.439	5	129.7313	0.355	6	129.7879	0.306	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](S[5]C[5])2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]H){2|C<4>}	129.7380	0.000	1	129.7068	0.439	5	129.7313	0.355	6	129.7879	0.306	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	O[5]-2:C[5]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]H){2|C<3>,2|H<1>}	130.1080	0.000	1	130.1080	0.000	1	130.1080	0.000	1	129.0683	1.204	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:C[5]-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](S[5]C[5,5,6])(C[5]N[5,6]O)(CC[6a]H){1|C<4>,1|N<3>,1|O<2>}	127.9210	0.000	1	127.9210	0.000	1	128.5485	0.788	2	129.0683	1.204	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:C[5]-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](S[5]C[5,5])(C[5]N[5]O)(CC[6a]H){1|C<3>,1|N<3>,1|S<2>}	129.1760	0.000	1	129.1760	0.000	1	128.5485	0.788	2	129.0683	1.204	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<2>,2|C<3>}	131.7455	0.540	2	130.4676	1.447	5	130.3076	1.058	7	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>,2|C<3>}	129.6157	0.162	3	130.4676	1.447	5	130.3076	1.058	7	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	129.6730	0.000	1	129.6730	0.000	1	130.3076	1.058	7	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5])(CC[6a]H){1|O<2>,2|C<3>}	130.1420	0.000	1	130.1420	0.000	1	130.3076	1.058	7	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	131.0115	0.145	2	130.5457	0.491	4	130.4708	0.396	5	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	130.0800	0.764	2	130.5457	0.491	4	130.4708	0.396	5	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(O[5]C[5])(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	130.1710	0.000	1	130.1710	0.000	1	130.4708	0.396	5	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	130.4430	0.000	1	130.4430	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	128.1980	0.000	1	128.1980	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.8900	0.000	1	130.0946	0.323	5	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.6600	0.057	2	130.0946	0.323	5	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.6315	0.540	2	130.0946	0.323	5	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.3410	0.000	1	129.3410	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	136.6720	0.000	1	136.6720	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.3550	0.000	2	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.3280	0.000	3	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.5020	0.000	1	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.3570	0.000	1	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.1060	0.000	2	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.1640	1.419	6	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	133.6635	0.041	6	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	131.7583	2.039	4	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|I<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	129.9920	2.469	2	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	132.4160	0.000	1	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|H<1>,2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	131.9240	0.000	1	132.3133	1.858	29	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	128.4810	0.170	2	129.1103	0.541	4	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	129.7395	0.100	2	129.1103	0.541	4	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	130.3590	0.000	1	130.3590	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]H){1|C<4>,1|H<1>}	130.2340	0.000	1	130.2340	0.000	1	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.1195	0.962	2	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<2>,1|C<3>,1|N<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.0430	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.5650	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	129.8240	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.1213	0.866	7	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.5457	0.284	3	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	132.5220	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<3>,1|N<3>}	129.4885	0.651	4	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|C<4>,1|S<2>}	129.9740	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|H<1>,1|N<3>}	128.8310	0.636	4	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){1|Se<2>,1|C<3>}	128.9420	0.134	2	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<3>}	129.7720	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.1108	0.309	6	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|N<3>}	131.5620	0.000	1	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	128.8593	0.190	4	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]H){2|C<4>}	130.7210	0.800	2	129.8462	0.861	41	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|I<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	130.5440	0.000	1	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	128.9830	0.931	2	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	130.7990	0.000	1	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	130.6390	1.384	4	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<4>}	129.8610	0.569	8	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]H){1|C<3>}	129.4400	0.533	2	129.9796	0.857	18	130.6075	2.685	103	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.9630	0.000	1	130.9630	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	130.8700	0.591	2	130.8700	0.349	2	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]H){2|C<3>}	129.8910	0.000	1	129.8910	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]H){1|C<3>,2|C<4>}	131.3550	0.000	1	131.3550	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,2|H<1>}	128.9510	0.000	1	128.9510	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]Si)(O[5]C[5])(CC[6a]H){1|Si<4>,1|O<1>}	130.7430	0.000	1	130.7430	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|C<4>,4|C<3>}	129.7020	0.000	1	130.7360	2.138	2	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]C[5])(CC[6a]H){1|O<1>,3|C<3>}	131.7700	0.000	1	130.7360	2.138	2	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(O[5]S[5])(CC[6a]H){2|C<3>,2|O<1>}	129.6190	0.000	1	129.6190	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<3>,1|O<1>}	131.0880	0.000	1	130.8150	0.463	5	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	130.7467	0.766	4	130.8150	0.463	5	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]O)(O[5]B[5])(CC[6a]H){1|C<4>,1|O<2>}	128.1980	0.000	1	128.1980	0.000	1	130.4379	1.001	16	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	132.2770	0.000	1	132.2770	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H){2|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	134.1290	0.148	2	134.1290	0.022	2	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]O)(S[5]C[5])(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	126.8860	0.000	1	126.8860	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	130.5620	0.000	1	130.5620	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	130.4190	0.000	1	130.4190	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	128.0400	0.000	1	128.0400	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|C<4>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	127.8050	0.000	1	126.2262	2.212	6	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	125.9104	1.420	5	126.2262	2.212	6	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]O)(S[5]C[5])(CC[6a]H){2|C<4>,2|H<1>}	128.1170	0.000	1	128.1170	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.5870	0.000	1	130.4045	0.067	2	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	130.2220	0.000	1	130.4045	0.067	2	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.4670	0.000	1	130.4670	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	136.7180	0.000	1	131.3989	6.039	7	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	129.6955	0.528	2	131.3989	6.039	7	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.9207	0.562	4	131.3989	6.039	7	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	132.2973	0.187	3	132.2973	0.035	3	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	130.8110	0.000	1	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	131.1390	0.000	1	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	130.6973	0.276	3	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	131.7763	0.743	3	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	130.9295	0.883	6	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|S<1>}	130.9190	0.808	2	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	130.6060	0.000	1	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	130.7120	0.000	1	131.0058	0.484	18	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a])(CC[6a]H){2|C<3>}	136.9770	0.000	1	136.9770	0.000	1	130.5425	6.254	46	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]I){1|H<1>,2|C<3>,2|C<4>}	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(CC[6a]O){1|H<1>,2|C<3>,2|O<1>}	120.8180	0.000	1	120.8180	0.000	1	120.8180	0.000	1	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O){1|C<3>,2|F<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]O){1|C<3>,1|H<1>}	117.6380	0.000	1	117.6380	0.000	1	117.6380	0.000	1	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]N[5])(CC[6a]O){1|C<3>,1|C<4>,1|H<1>}	118.6825	1.115	2	118.6825	1.243	2	118.6825	1.243	2	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	C[5](C[5]S[5]C)(S[5]C[5])(CC[6a]O)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]S[5]C)(S[5]C[5])(CC[6a]O){1|S<1>}	122.9520	0.000	1	122.9520	0.000	1	122.9520	0.000	1	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(Se[5]C[5,6a])(CC[6a]O){2|C<3>}	121.4650	0.000	1	121.4650	0.000	1	120.5583	0.620	3	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|O<2>}	C[5](C[5]C[5]H)(Se[5]C[5])(CC[6a]O){1|C<3>,1|I<1>}	120.1600	0.000	1	120.1600	0.000	1	120.5583	0.620	3	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]N)(Se[5]N[5])(CC[6a]O){1|C<4>,1|O<1>}	120.0500	0.000	1	120.0500	0.000	1	120.5583	0.620	3	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]S[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	C[5](C[5]N[5]O)(S[5]C[5])(CC[6a]H){1|N<3>}	131.9050	0.000	1	131.9050	0.000	1	131.9050	0.000	1	130.0963	7.855	187	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	C[5](N[5]C[5]S)(CC[6a]Br)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,1|F<1>,1|H<1>}	C[5](N[5]C[5]S)(CC[6a]Br)(O[5]C[5]){1|C<4>,3|H<1>}	125.1490	0.000	1	125.0860	0.008	2	125.0860	0.008	2	125.0860	0.008	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:2:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C-3:O[5]-2:	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	C[5](N[5]C[5]S)(CC[6a]Br)(O[5]C[5])	C(C[5]N[5]O[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	C[5](N[5]C[5]S)(CC[6a]Br)(O[5]C[5]){1|C<4>,3|H<1>}	125.0230	0.000	1	125.0860	0.008	2	125.0860	0.008	2	125.0860	0.008	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br){1|H<1>,1|O<1>,2|C<3>}	125.7050	0.689	4	125.7050	0.475	4	125.7050	0.475	4	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]Cl){1|B<3>,1|H<1>,4|C<3>}	128.4070	0.000	1	128.4070	0.000	1	127.7905	0.760	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]Cl){1|C<4>,1|H<1>,2|C<3>}	127.1740	0.000	1	127.1740	0.000	1	127.7905	0.760	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl){1|H<1>,1|O<1>,2|C<3>}	126.2830	0.007	2	126.2830	0.000	2	126.2830	0.000	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:C[5,5a]-3:C-3:	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H)	C(C[5]C[5,5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])2(CC[6a]H){2|C<3>,2|H<1>,2|S<2>}	127.6870	0.000	1	127.6870	0.000	1	127.6870	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:C[5]-3:C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	132.7860	0.000	1	132.7860	0.000	1	132.7860	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]O)2(CC[5]H){1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	130.6030	0.000	1	130.6030	0.000	1	130.6030	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	128.2025	0.752	2	128.2025	0.565	2	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(CC[5]H){1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	129.8830	0.000	1	129.8830	0.000	1	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	129.1580	1.881	2	129.1580	3.538	2	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	128.4494	1.900	9	128.3296	3.354	10	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){2|H<1>,4|C<3>}	127.2510	0.000	1	128.3296	3.354	10	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]H){1|Si<4>,1|H<1>,4|C<3>}	134.6060	0.426	2	134.6060	0.181	2	129.2419	6.433	17	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	132.3170	0.000	1	132.3170	0.000	1	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	128.8467	0.787	6	128.8467	0.619	6	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	128.6360	0.000	1	128.6360	0.000	1	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]H){1|H<1>,3|C<3>}	131.7660	0.000	1	131.7660	0.000	1	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]H){2|C<3>,2|H<1>}	131.8365	0.151	2	131.8365	0.023	2	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,5|C<3>}	129.5430	0.000	1	129.5430	0.000	1	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	133.1920	3.900	2	129.6482	6.441	11	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){1|H<1>,3|C<3>}	129.4770	0.000	1	129.6482	6.441	11	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]H){2|C<3>,2|H<1>}	128.7836	1.607	8	129.6482	6.441	11	129.7889	4.234	23	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	126.3570	0.000	1	126.3570	0.000	1	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	131.2000	0.000	1	131.2000	0.000	1	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	125.8230	0.000	1	128.6630	2.866	6	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	129.2310	1.078	5	128.6630	2.866	6	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.5020	0.000	1	129.5020	0.000	1	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	132.8630	0.744	4	132.0192	3.976	5	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|O<1>,1|O<2>,2|C<3>}	128.6440	0.000	1	132.0192	3.976	5	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	128.3190	0.000	1	128.3190	0.000	1	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	129.8768	0.983	5	129.8768	0.966	5	129.8418	4.346	20	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H){1|C<3>,2|C<4>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	135.0470	0.000	1	135.0470	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)2(CC[5]H){1|C<3>,2|C<4>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	130.6630	0.000	1	130.6630	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(CC[5]H){2|C<3>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	131.3960	0.000	1	131.3960	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	130.2980	0.000	1	130.2980	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]H){2|C<3>}	134.7050	0.000	1	134.7050	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]H){2|C<3>}	132.0190	0.000	1	132.0190	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	133.4190	0.000	1	133.4190	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<2>,1|O<1>}	127.6870	0.000	1	129.9390	5.764	3	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	132.4650	0.000	1	129.9390	5.764	3	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	129.6650	0.000	1	129.9390	5.764	3	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	129.7480	0.000	1	129.7480	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]H){1|C<2>,1|O<2>}	128.0470	0.000	1	128.0470	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]H){1|O<1>,3|C<3>}	132.4030	0.000	1	132.4030	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<3>}	127.4920	0.594	4	127.6494	0.389	5	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]H){1|C<4>}	128.2790	0.000	1	127.6494	0.389	5	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]H){1|C<4>,1|O<1>}	134.2000	0.000	1	134.2000	0.000	1	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|C<4>,1|O<1>}	132.6880	0.000	1	131.4973	1.458	3	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>}	130.9020	0.888	2	131.4973	1.458	3	130.6591	6.378	22	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,5]-3:C[5]-3:C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H)	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<3>,2|C<4>}	131.0297	0.714	3	131.0297	0.510	3	131.5540	1.440	4	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,5]-3:C[5]-3:C-3:	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H)	C(C[5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	133.1270	0.000	1	133.1270	0.000	1	131.5540	1.440	4	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[5]-3:C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	129.0300	0.000	1	129.0300	0.000	1	129.0300	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[5,6]-3:C[5]-3:C-3:	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H)	C(C[5]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](P[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	129.2380	0.000	1	129.2380	0.000	1	129.2380	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I){1|H<1>,1|O<1>,2|C<3>}	124.4820	0.000	1	124.4820	0.000	1	124.4820	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-3:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]C[6])(CC[6a]O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	124.0110	0.000	1	124.0110	0.000	1	120.0892	4.041	6	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(CC[6a]O){1|H<1>,3|C<3>}	119.2330	0.173	2	119.2330	0.030	2	120.0892	4.041	6	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	120.3870	0.000	1	120.3870	0.000	1	120.0892	4.041	6	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]I)(CC[6a]O){1|H<1>,1|O<1>,2|C<3>}	118.6140	0.000	1	118.6140	0.000	1	120.0892	4.041	6	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]O){1|Br<1>,1|C<4>,2|C<3>}	119.0570	0.000	1	119.0570	0.000	1	120.0892	4.041	6	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(CC[6a]O){1|C<2>,1|H<1>,6|C<3>}	118.1700	0.000	1	118.1700	0.000	1	118.1700	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(CC[6a]O){2|N<2>,4|C<3>}	118.5170	0.000	1	118.5170	0.000	1	118.5170	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	C(C[6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(H)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]C)(CC[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	130.7780	0.000	1	130.7780	0.000	1	130.7780	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H)	C[5](C[5]C[6a]C[5])2(CC[6a]H)	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CC[5]H){6|C<3>}	C[5](C[5]C[6a]C[5])2(CC[6a]H){6|C<3>}	129.1710	0.000	1	129.1710	0.000	1	129.1710	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	124.3250	0.000	1	124.3250	0.000	1	124.3250	0.000	1	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]C)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(CC[6a]H){2|C<4>}	128.8120	0.000	1	128.8120	0.000	1	126.2140	12.423	5	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	127.5070	0.000	1	127.5070	0.000	1	126.2140	12.423	5	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	120.0060	0.000	1	120.0060	0.000	1	126.2140	12.423	5	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]H)2(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)2(CC[6a]H){2|H<1>}	127.5230	0.000	1	127.5230	0.000	1	126.2140	12.423	5	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[5]H){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	127.2220	0.000	1	127.2220	0.000	1	126.2140	12.423	5	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	134.0170	0.000	1	134.0170	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	133.6923	2.630	4	133.6923	6.919	4	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	134.1790	0.000	1	134.1790	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.7660	0.000	1	130.7660	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|C<4>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	126.6730	0.000	1	126.0500	0.448	3	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	125.7385	0.561	2	126.0500	0.448	3	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5,6a]C)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)2(CC[6a]H){2|C<3>}	130.7670	0.000	1	130.7670	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	134.3780	0.000	1	134.3780	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	130.2200	1.220	2	130.2200	1.490	2	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	133.8170	0.000	1	133.8170	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	133.1850	0.000	1	133.1850	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	136.0070	0.000	1	136.0070	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]O)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]H){2|C<3>}	134.8540	0.805	4	134.8540	0.648	4	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|N<3>}	132.0480	0.000	1	132.0480	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]H){1|O<1>}	129.5920	0.000	1	129.5920	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|C<3>}	130.4710	0.000	1	130.8900	0.351	2	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]H){1|O<1>}	131.3090	0.000	1	130.8900	0.351	2	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	130.9990	0.000	1	130.9990	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]H){1|C<3>}	131.1430	0.000	1	131.1430	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	128.3000	0.000	1	127.3613	1.788	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	126.9105	0.991	4	127.3613	1.788	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){4|C<3>}	129.4840	0.000	1	127.3613	1.788	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]H){1|H<1>,3|C<3>}	126.1030	0.000	1	127.3613	1.788	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]H){3|C<3>}	135.3040	0.000	1	135.3040	0.000	1	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	133.9110	0.000	1	133.9357	0.260	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]H){2|C<3>}	133.9398	0.559	6	133.9357	0.260	7	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]O[5]O)(CC[6a]H)	134.1097	0.853	3	134.1097	0.728	3	131.8259	10.086	45	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5]C[6a]C[5])2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]H){2|C<4>,4|C<3>}	137.0110	0.492	2	137.0110	0.242	2	137.0110	0.242	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	121.2350	0.000	1	121.2350	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5]O)	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(CC[5]O){2|C<3>}	C[5](C[5]C[5,5]O)(C[5]N[5]C)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>}	116.3900	0.000	1	116.3900	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]H)(C[5]N[5]S)(CC[6a]O){2|C<3>}	117.3470	0.000	1	117.3470	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]S[5]N)2(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]S[5]N)2(CC[6a]O)	122.4600	0.000	1	122.2665	0.075	2	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]S[5]N)2(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]S[5]N)2(CC[6a]O)	122.0730	0.000	1	122.2665	0.075	2	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5]O)(CC[6a]O){2|H<1>,4|C<3>}	120.6640	0.000	1	120.6640	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]N[5]S)(CC[6a]O){1|H<1>,4|C<3>}	119.4350	0.000	1	119.4350	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]H)(CC[6a]O){2|C<3>}	119.8940	0.000	1	119.8940	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	122.4005	0.477	2	121.3325	2.749	6	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|C<3>}	118.6470	0.000	1	121.3325	2.749	6	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	121.5157	1.401	3	121.3325	2.749	6	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O){2|H<1>}	124.6380	0.000	1	124.6380	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]N)(CC[6a]O){1|C<4>,1|O<1>}	120.8360	0.000	1	120.8360	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<3>}	123.1130	0.000	1	123.1130	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]S[5]S)(CC[6a]O){2|H<1>}	121.3670	0.000	1	121.3670	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5,5]O)(CC[6a]O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.7080	0.000	1	119.7080	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]O){2|C<3>,4|H<1>}	117.0050	0.000	1	117.0050	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){2|Br<1>,1|C<3>}	C[5](C[5]C[6a]C[5])(C[5]O[5]O)(CC[6a]O){3|C<3>}	120.6570	0.000	1	120.6570	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])2(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])2(CC[6a]O){2|H<1>,5|C<3>}	119.4420	0.000	1	119.4420	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|C<4>,1|O<2>,3|C<3>}	117.8870	0.000	1	117.9170	0.290	3	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|C<3>,2|C<4>}	117.9320	0.761	2	117.9170	0.290	3	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]C)(CC[6a]O){1|O<2>,3|C<3>}	117.5570	0.000	1	117.5570	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]N)(CC[6a]O){1|O<1>,2|C<3>}	120.1130	0.000	1	120.1130	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O){1|C<3>}	119.8600	0.000	1	119.8600	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]S[5]C)(C[5]S[5]S)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]S[5]C)(C[5]S[5]S)(CC[6a]O)	118.3230	0.000	1	118.3230	0.000	1	120.1332	4.378	29	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](N[5]C[5]C)2(CC[6a]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(CC[6a]O){2|H<1>}	119.0280	0.000	1	119.0280	0.000	1	118.4805	0.600	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CC[5]O)	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O){1|H<1>}	117.9330	0.000	1	117.9330	0.000	1	118.4805	0.600	2	128.0839	25.753	196	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:C[5]-4:C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	130.5170	0.000	1	130.5170	0.000	1	130.5170	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]H){2|C<3>,3|C<4>,3|H<1>}	130.9563	0.476	3	130.9563	0.227	3	130.9563	0.227	3	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:C-3:	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H)	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CC[6a]H){3|H<1>,4|C<3>}	126.2880	0.000	1	126.2880	0.000	1	126.6905	0.324	2	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,5]-4:C-3:	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H)	C(C[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CC[6a]H){1|N<2>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	127.0930	0.000	1	127.0930	0.000	1	126.6905	0.324	2	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]O[5]C)(CC[6a]H){1|H<1>,4|C<3>}	128.5595	1.521	4	128.5595	2.314	4	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	130.7130	0.000	1	131.1305	0.349	2	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]H){1|N<3>,2|C<3>,2|H<1>}	131.5480	0.000	1	131.1305	0.349	2	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	129.8875	1.770	2	129.8875	3.133	2	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N)(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	129.9870	2.687	2	129.9870	7.220	2	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	129.1388	1.073	4	129.1388	1.152	4	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	128.7340	0.000	1	128.7340	0.000	1	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	131.1525	1.435	2	131.1525	2.058	2	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CH)(CC[6a]H){3|C<3>}	131.1070	0.000	1	131.1070	0.000	1	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	130.1050	0.000	1	130.1050	0.000	1	129.7397	2.290	19	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5,5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	125.2930	0.000	1	125.2930	0.000	1	125.2930	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[5]-4:C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H)	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H){1|O<2>,2|C<4>,4|H<1>}	128.4020	0.000	1	128.4020	0.000	1	128.4020	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|C<3>,2|C<4>}	128.8460	0.000	1	128.8460	0.000	1	128.8460	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){1|N<2>,2|C<3>,2|H<1>}	125.3610	0.000	1	125.7120	0.246	2	125.7120	0.246	2	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(CC[6a]I){2|C<3>,3|H<1>}	126.0630	0.000	1	125.7120	0.246	2	125.7120	0.246	2	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O){1|H<1>,1|O<1>,2|C<4>}	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H){2|C<4>,2|H<1>}	130.7160	0.000	1	130.7160	0.000	1	129.3077	4.142	4	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CC[6a]H){2|C<4>,2|H<1>}	131.3190	0.000	1	131.3190	0.000	1	129.3077	4.142	4	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]H){1|C<4>,1|S<2>,4|H<1>}	128.1230	0.000	1	128.1230	0.000	1	129.3077	4.142	4	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>}	127.0730	0.000	1	127.0730	0.000	1	129.3077	4.142	4	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[5]O){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	122.4970	0.000	1	122.4970	0.000	1	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O){4|C<3>}	123.7330	0.000	1	123.7330	0.000	1	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a])(C[5]C[6a]N[5]H)(CC[6a]O){1|H<1>,6|C<3>}	121.1237	1.196	3	121.1237	1.430	3	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]HH)(CC[6a]O){1|O<1>,1|S<4>,2|C<3>}	119.6192	1.167	4	119.6192	1.362	4	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,4|C<3>}	121.3090	0.000	1	121.3090	0.000	1	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|C<4>,3|C<3>}	121.9230	0.000	1	120.9403	0.472	4	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]O){1|H<1>,3|C<3>}	120.6127	0.254	3	120.9403	0.472	4	120.9391	1.985	14	126.4992	19.257	50	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:O[5]-2:C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H)	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(O[5]C[5,6a])(CC[6a]H){1|C<4>,1|O<2>,3|C<3>}	130.0580	0.000	1	130.0580	0.000	1	130.0580	0.000	1	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:S[5]-2:C-3:	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H)	C(C[5]C[5,6]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(S[5]C[5])(CC[6a]H){1|O<1>,2|C<4>,4|H<1>}	129.4960	0.000	1	129.4960	0.000	1	129.4960	0.000	1	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CC[6a]H){1|C<3>,1|C<4>}	130.1250	0.000	1	130.1250	0.000	1	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H){2|C<3>,4|H<1>}	128.6590	0.000	1	128.6590	0.000	1	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	129.8990	0.316	3	129.8990	0.100	3	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|C<4>,1|O<1>}	128.8127	1.198	3	128.6155	1.112	4	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]H){1|H<1>,1|O<1>}	128.0240	0.000	1	128.6155	1.112	4	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	129.9520	0.000	1	130.9430	1.964	2	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|O<1>}	131.9340	0.000	1	130.9430	1.964	2	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(O[5]C[5,6])(CC[6a]H){1|C<4>,1|O<2>}	129.8070	0.000	1	129.8070	0.000	1	129.5530	1.312	12	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(S[5]C[5])(CC[6a]H){1|N<2>}	126.8940	0.000	1	126.8940	0.000	1	129.6202	3.866	4	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(S[5]C[5])(CC[6a]H){4|H<1>}	130.1590	0.000	1	130.1590	0.000	1	129.6202	3.866	4	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(S[5]C[5])(CC[6a]H){1|C<4>,1|N<2>,2|C<3>}	129.8530	0.000	1	129.8530	0.000	1	129.6202	3.866	4	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(CC[6a]H)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(S[5]C[5,6])(CC[6a]H){1|C<4>,1|N<2>}	131.5750	0.000	1	131.5750	0.000	1	129.6202	3.866	4	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-2:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5])(CC[6a]I){1|S<2>,3|C<3>}	123.2980	0.000	1	123.2980	0.000	1	123.2980	0.000	1	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:Se[5]-2:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]I)	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]I){1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(Se[5]C[5])(CC[6a]I){4|H<1>}	126.0485	0.285	4	126.0485	0.081	4	126.0485	0.081	4	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]CH)(N[5]N[5])(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(N[5]N[5])(CC[6a]O){1|H<1>,2|C<3>}	122.1100	0.000	1	122.1100	0.000	1	122.1525	0.004	2	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]N[5])(CC[6a]O){1|C<4>,2|C<3>,2|H<1>}	122.1950	0.000	1	122.1950	0.000	1	122.1525	0.004	2	128.1787	7.380	25	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5]-3:C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl)	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl){2|H<1>,3|C<4>}	128.9580	0.000	1	129.2325	0.151	2	129.2325	0.151	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5]-3:C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl)	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]O[5]O)(CC[6a]Cl){2|H<1>,3|C<4>}	129.5070	0.000	1	129.2325	0.151	2	129.2325	0.151	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]Cl)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]Cl){1|O<1>,2|H<1>}	126.5140	0.141	2	126.5140	0.020	2	126.5140	0.020	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[4,5]-4:C[5]-3:C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H)	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	131.6340	0.000	1	131.6340	0.000	1	131.6340	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,2|H<1>}	130.6970	0.000	1	130.6970	0.000	1	129.5487	8.335	6	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	125.3260	0.000	1	125.3260	0.000	1	129.5487	8.335	6	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]N[5]O[5])(C[5]C[5,6a]O)(CC[6a]H){1|N<2>,4|C<3>}	129.7995	3.243	2	129.7995	10.520	2	129.5487	8.335	6	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,3|H<1>}	128.7650	0.000	1	130.8350	8.570	2	129.5487	8.335	6	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	132.9050	0.000	1	130.8350	8.570	2	129.5487	8.335	6	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C-3:	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H)	C(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]N[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CC[6a]H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	129.7500	0.000	1	129.7500	0.000	1	129.7500	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|C<3>,1|O<2>,4|H<1>}	129.7450	0.000	1	130.3330	0.691	2	130.0470	0.591	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]H){1|O<2>,2|C<3>,3|H<1>}	130.9210	0.000	1	130.3330	0.691	2	130.0470	0.591	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	129.4750	0.000	1	129.4750	0.000	1	130.0470	0.591	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,6|H<1>}	125.3280	0.000	1	125.4475	0.029	2	126.3653	2.542	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H)	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(CC[6a]H){1|O<1>,2|C<4>,6|H<1>}	125.5670	0.000	1	125.4475	0.029	2	126.3653	2.542	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H)	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[6]2N[5])(N[5]C[6a]C[5])(CC[6a]H){1|S<1>,2|C<3>,3|C<4>,4|H<1>}	128.2010	0.000	1	128.2010	0.000	1	126.3653	2.542	3	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]O)(N[5]C[5,6a]S)(CC[6a]H){4|C<3>}	129.5730	0.000	1	129.5730	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(N[5]C[5,6a]S)(CC[6a]H){2|C<3>}	127.4300	0.000	1	127.4300	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H){4|H<1>}	128.7690	0.000	1	128.7690	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]N[5]C)(CC[6a]H){1|O<2>}	129.3430	0.000	1	129.3430	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	130.7150	0.000	1	130.7150	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]H){1|O<1>,2|H<1>}	129.7930	0.000	1	129.7930	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	124.6390	0.000	1	124.6390	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H){1|O<1>}	129.7470	0.000	1	129.7470	0.000	1	128.7511	3.659	8	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:N[5]-3:C-3:	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I)	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]O[5])(CC[6a]I){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	126.0205	0.689	2	126.0205	0.475	2	126.0205	0.475	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4,5]-4:C[5]-3:C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]O[5])(CC[6a]O)	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]O[5])(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	120.2580	0.000	1	120.2580	0.000	1	120.2345	0.001	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[4,5]-4:C[5]-3:C-3:	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]H)(CC[6a]O)	C(C[5]C[4,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]O)(C[5]C[5]H)(CC[6a]O){2|C<4>,4|H<1>}	120.2110	0.000	1	120.2110	0.000	1	120.2345	0.001	2	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	123.0360	0.000	1	123.0360	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]H)(CC[6a]O){1|C<4>,1|H<1>,4|C<3>}	118.9360	0.000	1	118.9360	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]H)(CC[6a]O){1|O<1>,1|O<2>,3|C<3>}	119.5435	0.158	2	119.5435	0.025	2	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]C)(CC[6a]O){1|N<2>,1|N<3>,4|C<3>}	121.7010	0.000	1	121.7010	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6]C[5]2)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	119.2140	0.000	1	119.2140	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	120.6620	0.000	1	120.6620	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]H)(CC[6a]O){1|H<1>,4|C<3>}	121.0760	0.000	1	121.0760	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]H)(CC[6a]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.9520	0.000	1	119.9520	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]O)(CC[6a]O){1|O<2>,2|O<1>,3|C<3>}	124.4880	0.000	1	124.4880	0.000	1	120.8152	3.266	10	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	120.9880	0.000	1	120.9880	0.000	1	120.9880	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O)	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]F)2(CC[5]O){1|C<3>,2|F<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O){2|C<3>,4|C<4>,6|H<1>}	119.7710	0.000	1	119.7710	0.000	1	121.5180	1.054	5	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:C-3:	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O)	C(C[5]C[5,6]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(CC[6a]O){2|C<3>,4|C<4>,6|H<1>}	121.9547	0.365	4	121.9547	0.133	4	121.5180	1.054	5	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]O[5]O)(CC[6a]O){1|H<1>,3|C<3>}	122.3990	0.000	1	122.3990	0.000	1	122.3990	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F)	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]F){4|H<1>}	132.1820	0.000	1	132.1820	0.000	1	132.1820	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H)	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H)	C(C[6a]C[5a,6a]C[6a,6a])(C[5]C[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])(CC[5]H){1|H<1>,5|C<3>}	C[5](C[5]C[5,5a]C[6a]2)(C[5]C[5,5a]S)(CC[6a]H){1|S<2>,5|C<3>}	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a,6a]2)(C[5]C[5]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]H){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	127.5478	1.484	5	127.5478	2.202	5	127.5478	2.202	5	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	131.0760	0.000	1	131.0760	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	131.2990	0.000	1	131.2990	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(CC[5]H){1|H<1>,2|C<3>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	122.3930	0.000	1	122.3930	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	129.1810	1.099	3	129.1810	1.207	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	127.8330	0.000	1	127.8330	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	129.5925	2.920	2	129.5925	8.524	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	121.5195	0.074	2	123.1877	8.351	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	126.5240	0.000	1	123.1877	8.351	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	122.9410	0.000	1	122.9410	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	127.3630	0.000	1	127.3630	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H){1|O<1>}	129.1860	0.000	1	129.1860	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|C<3>,1|H<1>,1|O<2>}	129.3230	0.000	1	129.3230	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	130.9175	0.913	2	130.9175	0.833	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	131.3235	0.545	6	131.3235	0.297	6	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]H){1|C<3>,1|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	130.4170	0.000	1	130.4170	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H){2|C<4>,2|H<1>}	132.2090	0.000	1	132.2090	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]CC)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	133.6960	0.000	1	133.6960	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<4>,1|N<3>,2|H<1>}	130.1720	0.000	1	130.5460	0.280	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	130.9200	0.000	1	130.5460	0.280	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	128.4805	0.021	2	128.4805	0.000	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	129.4170	0.000	1	133.0173	11.085	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<4>,2|C<3>}	133.6500	0.000	1	133.0173	11.085	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	135.9850	0.000	1	133.0173	11.085	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]H){1|H<1>,2|C<4>}	130.9013	1.407	3	130.9013	1.979	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]C[6a]O)(C[5]C[6a]C[5])(CC[6a]H){1|H<1>,2|S<2>,4|C<3>}	133.5060	0.000	1	133.5060	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	129.3310	0.607	2	130.1086	0.846	5	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]H){1|H<1>,3|C<4>}	130.6270	0.707	3	130.1086	0.846	5	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CC[6a]H){1|H<1>,2|C<4>}	135.2030	0.000	1	135.2030	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	131.5070	0.575	3	131.5070	0.331	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]H){4|C<3>}	132.5573	0.708	3	132.5573	0.501	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	130.0215	0.835	2	130.8433	1.728	17	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	131.0828	1.429	12	130.8433	1.728	17	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	130.8690	0.000	1	130.8433	1.728	17	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	131.1240	0.000	1	130.8433	1.728	17	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	129.3070	0.000	1	130.8433	1.728	17	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]H){1|C<4>,2|C<3>,4|H<1>}	128.6170	0.000	1	128.6170	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	136.4010	0.000	1	136.4010	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H){2|H<1>}	133.1880	0.000	1	133.1880	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	131.1690	0.000	1	131.1690	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,2|H<1>}	130.4530	0.000	1	130.5550	0.842	4	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	130.5890	1.121	3	130.5550	0.842	4	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	131.5780	0.198	2	131.0333	0.910	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	129.9440	0.000	1	131.0333	0.910	3	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|C<3>,1|O<1>}	129.6370	0.000	1	128.6826	8.559	5	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>}	123.4890	0.000	1	128.6826	8.559	5	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	130.0957	0.425	3	128.6826	8.559	5	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	130.7875	0.088	2	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	130.9210	0.000	1	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	131.5115	0.425	4	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,1|H<1>}	130.8810	0.000	1	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<4>,3|H<1>}	130.8940	0.000	1	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){2|H<1>}	128.2540	0.000	1	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	130.3610	0.000	1	130.8120	0.928	11	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|F<1>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H){3|H<1>}	130.2330	0.000	1	130.4555	0.099	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]H){3|H<1>}	130.6780	0.000	1	130.4555	0.099	2	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	129.2185	0.347	2	129.9686	0.826	7	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>}	129.7120	0.368	3	129.9686	0.826	7	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|C<3>}	131.6800	0.000	1	129.9686	0.826	7	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]H){1|H<1>,1|O<1>}	130.5270	0.000	1	129.9686	0.826	7	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){1|C<3>,1|H<1>}	130.3650	0.000	1	130.3455	0.044	4	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]H){2|H<1>}	130.3390	0.256	3	130.3455	0.044	4	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	132.7430	0.000	1	132.7430	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]H){2|C<3>,4|H<1>}	130.2900	0.000	1	130.2900	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]H){2|C<3>,3|H<1>}	130.8570	0.000	1	130.8570	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]N)(C[5]N[5]O)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>}	129.6230	0.000	1	129.6230	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]H){1|S<4>,4|C<3>}	128.6980	0.000	1	128.6980	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	130.0610	0.000	1	130.0610	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]H){1|O<1>}	129.4560	0.000	1	129.4560	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]N[5]C)(CC[6a]H)	128.1520	0.000	1	128.1520	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]N[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]N[6a]H)2(CC[5]H){1|C<3>}	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	127.8840	0.000	1	127.8840	0.000	1	130.3127	5.509	116	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]O){2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	120.7810	0.000	1	120.7810	0.000	1	120.7810	0.000	1	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]N)(CC[6a]O){4|H<1>}	116.2710	0.000	1	116.2710	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){4|H<1>}	117.7190	0.000	1	117.7190	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	120.0160	3.333	2	120.0160	11.111	2	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]O[5])(CC[6a]O){6|C<3>}	120.8700	0.000	1	120.8700	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5]H)(CC[6a]O){2|H<1>,4|C<3>}	120.1340	0.000	1	120.1340	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]C[6a])(CC[6a]O){1|N<3>,5|C<3>}	121.0040	0.000	1	121.0040	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]N)(CC[6a]O){4|C<3>}	119.2040	0.000	1	119.2040	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]O){4|H<1>}	120.5600	0.000	1	120.5600	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){1|C<3>,1|O<1>,1|O<2>}	121.3120	0.000	1	121.3120	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){1|C<3>,3|H<1>}	122.4300	1.096	4	122.4300	1.201	4	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]O){1|C<4>,3|H<1>}	121.8730	0.000	1	121.8730	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	119.8490	0.000	1	119.8490	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]O){2|C<3>,2|F<1>,2|H<1>}	127.7100	0.000	1	127.7100	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]O){1|C<4>,6|C<3>}	122.5110	0.000	1	122.5110	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5])(CC[6a]O){2|H<1>,4|C<3>}	121.7865	0.353	2	121.7865	0.125	2	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	119.7200	0.000	1	119.7200	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	118.9582	0.879	4	118.9582	0.773	4	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]O[5])(CC[6a]O){1|C<4>,4|C<3>}	121.3710	0.000	1	121.3710	0.000	1	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]O[5]C)(CC[6a]O){1|C<4>,2|C<3>}	120.3770	0.983	3	120.3770	0.967	3	120.7033	4.797	29	127.6753	20.597	200	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Br){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	126.6270	0.139	2	126.6270	0.019	2	126.6270	0.019	2	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]3)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	130.8350	0.000	1	130.8350	0.000	1	130.8350	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]Cl){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	126.3976	0.868	5	126.3976	0.753	5	127.6090	2.715	9	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,7|H<1>}	129.5555	1.042	2	129.5555	1.085	2	127.6090	2.715	9	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]Cl){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	128.6910	0.607	2	128.6910	0.368	2	127.6090	2.715	9	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F)	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]F){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	133.0490	0.000	1	133.0490	0.000	1	133.0490	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:C-3:	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	127.6930	0.000	1	127.6930	0.000	1	127.6930	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5,6]-4:C[5]-4:C-3:	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,6a]C[5,6]O[5,6])(C[5]C[5]HH)(CC[6a]H){1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	128.7390	0.000	1	128.7390	0.000	1	128.7390	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CC[6a]H){1|H<1>,1|O<1>,3|C<3>}	131.1540	0.000	1	131.1540	0.000	1	128.9874	4.388	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|C<4>,2|H<1>}	128.1190	1.425	4	128.1190	2.030	4	128.9874	4.388	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]CC)(CC[6a]H){1|S<4>,2|C<3>,2|H<1>}	132.0570	0.000	1	132.0570	0.000	1	128.9874	4.388	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-4:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	127.2250	0.000	1	127.2250	0.000	1	128.9874	4.388	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,1|H<1>,2|C<3>}	131.4420	0.000	1	129.6388	1.678	4	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|C<4>,3|H<1>}	129.6030	0.000	1	129.6388	1.678	4	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	128.7550	0.470	2	129.6388	1.678	4	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	130.1050	0.000	1	129.3357	3.337	7	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	131.9660	0.000	1	129.3357	3.337	7	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]H){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	128.6558	1.597	5	129.3357	3.337	7	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6]C[5]C[6]O[6])(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	127.4820	0.000	1	127.4820	0.000	1	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	128.3320	0.000	1	128.3320	0.000	1	129.2092	2.472	13	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:P[5]-4:C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H)	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>}	133.0580	0.000	1	133.0580	0.000	1	133.0580	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:B[5]-4:C-3:	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H)	C(C[5]B[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](P[5]C[6a]2N[5])(B[5]P[5]HH)(CC[6a]H){2|C<4>,4|C<3>}	129.3945	1.392	2	129.3945	1.938	2	129.3945	1.938	2	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:C[5]-4:C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]H)	C(C[5]C[5]P[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	130.5260	0.000	1	130.5260	0.000	1	130.5260	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:Br-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br)	C(C[6a]C[6a]2)(C[5]C[5]2)(Br)	C[6a](C[6a]C[6a]H)2(CC[5]Br){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br){1|S<4>,2|H<1>}	129.1960	0.000	1	129.1960	0.000	1	129.1960	0.000	1	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl){4|H<1>}	131.0370	0.000	1	130.0137	0.814	3	130.5757	1.486	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl){4|H<1>}	129.5020	0.240	2	130.0137	0.814	3	130.5757	1.486	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|H<1>}	131.2840	1.524	3	131.2840	2.322	3	130.5757	1.486	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl)	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl)	C(C[6a]C[6a]2)(C[5]C[5]2)(Cl)	C[6a](C[6a]C[6a]H)2(CC[5]Cl){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|C<3>,2|H<1>}	130.1370	0.000	1	130.1370	0.000	1	130.5757	1.486	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]F)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F)	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]F){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F){1|S<4>,2|H<1>}	134.7950	0.000	1	134.7950	0.000	1	133.1180	5.625	2	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F)	C(C[6a]C[6a]2)(C[5]C[5]2)(F)	C[6a](C[6a]C[6a]H)2(CC[5]F){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F){1|S<4>,2|H<1>}	131.4410	0.000	1	131.4410	0.000	1	133.1180	5.625	2	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	130.8490	0.062	2	130.8490	0.004	2	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(CC[6a]H){1|H<1>,1|O<2>,2|C<4>}	130.8960	0.000	1	130.8960	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]CO)(C[5]C[5]HH)(CC[6a]H){1|H<1>,1|N<3>,2|C<4>}	131.0650	0.000	1	131.0650	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	131.2950	0.000	1	131.2950	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(C[5]C[5,6]HO)(CC[6a]H){1|H<1>,3|C<4>}	130.1610	0.000	1	130.1610	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H){1|C<4>,3|H<1>}	130.5400	0.000	1	130.5400	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|C<4>,1|H<1>,1|S<4>}	130.4100	0.000	1	130.4453	0.288	6	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	130.4524	0.600	5	130.4453	0.288	6	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]H){1|C<3>,1|H<1>}	131.6920	0.000	1	131.6920	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CH)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)2(CC[6a]H){1|C<3>,3|H<1>}	131.9250	0.000	1	131.9250	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]C[5]HH)(CC[6a]H){1|O<1>,2|H<1>}	131.3880	0.000	1	131.3880	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	129.2030	0.000	1	129.2030	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]H){4|H<1>}	130.6440	0.000	1	130.6440	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){1|C<3>,2|H<1>}	129.5763	1.063	3	129.8868	1.139	4	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){4|H<1>}	130.8180	0.000	1	129.8868	1.139	4	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]HH)(CC[6a]H){1|H<1>,1|O<2>}	131.2860	0.955	3	131.2860	0.911	3	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[5]HH)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)2(CC[6a]H){1|C<3>,3|H<1>}	132.4250	0.000	1	132.4250	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]H){2|C<3>,2|H<1>}	131.6920	0.000	1	131.6920	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H)	C(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]H){2|H<1>,3|C<3>}	130.6290	0.000	1	130.6290	0.000	1	130.7618	0.766	28	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S[5]-4:S[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H)	C[5](S[5]C[5,6a]OO)2(CC[6a]H)	C(C[6a]C[6a]2)(C[5]S[5]2)(H)	C[6a](C[6a]C[6a]H)2(CC[5]H){1|C<3>,2|H<1>}	C[5](S[5]C[5,6a]OO)2(CC[6a]H){2|C<3>}	132.3425	1.126	2	132.3425	1.269	2	132.3425	1.269	2	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	127.2295	0.084	2	127.2295	0.007	2	128.0913	0.481	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I)	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]I){4|H<1>}	128.8680	0.000	1	128.8680	0.000	1	128.0913	0.481	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:I-1:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C(C[6a]C[6a]2)(C[5]C[5]2)(I)	C[6a](C[6a]C[6a]H)2(CC[5]I){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	128.3280	0.435	4	128.3280	0.189	4	128.0913	0.481	7	129.7578	3.599	86	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	2:3:3:	4:3:3:	C[5]-3:C[6a]-3:C-2:	N[6a]-2:N[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(CC[5]C){1|O<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	122.7970	0.000	1	122.7970	0.000	1	122.7970	0.000	1	123.8990	2.429	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	2:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-2:	N[6a]-2:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]C){4|H<1>}	125.0010	0.000	1	125.0010	0.000	1	125.0010	0.000	1	123.8990	2.429	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-2:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(CC[6a]C){1|H<1>,1|N<3>,2|C<3>}	126.9665	0.062	2	126.9665	0.004	2	126.9665	0.004	2	124.4346	13.881	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5])(CC[6a]C){1|N<3>,3|C<3>}	125.6185	2.613	2	125.6185	6.827	2	125.6185	6.827	2	124.4346	13.881	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:S[5]-2:C-3:	C(C[5]N[5]S[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](N[5]C[5]C)(S[5]C[5])(CC[6a]O)	C(C[5]N[5]S[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(CC[6a]O){2|C<4>}	129.0800	0.000	1	129.0800	0.000	1	129.0800	0.000	1	124.4346	13.881	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(SeC)	C[6a](C[6a]C[6a]H)2(CC[5]Se)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(SeC)	C[6a](C[6a]C[6a]H)2(CC[5]Se){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]Se){2|C<3>}	122.1410	0.000	1	122.1410	0.000	1	122.1410	0.000	1	124.4346	13.881	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(N[5]C[5])(CC[6a]N){4|H<1>}	119.5430	0.133	2	119.5430	0.018	2	119.5430	0.018	2	124.4346	13.881	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	126.3850	0.000	1	126.3850	0.000	1	125.4440	1.771	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	124.5030	0.000	1	124.5030	0.000	1	125.4440	1.771	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C){2|C<3>}	125.7740	0.000	1	125.7740	0.000	1	125.7740	0.000	1	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	121.3285	0.373	2	121.3285	0.139	2	121.3285	0.139	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]N){1|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	123.5170	0.000	1	123.5170	0.000	1	124.6060	2.372	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]O){1|H<1>,2|C<3>}	125.6950	0.000	1	125.6950	0.000	1	124.6060	2.372	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]S){1|H<1>,5|C<3>}	123.6640	0.000	1	123.6640	0.000	1	122.3365	3.525	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(CC[5]S){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]S){1|C<4>,1|H<1>,2|C<3>}	121.0090	0.000	1	121.0090	0.000	1	122.3365	3.525	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[5]-3:C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se)	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,1|H<1>,2|C<3>}	125.3010	0.757	2	125.3010	0.572	2	125.1043	0.402	3	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:C[5]-3:C-3:	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se)	C(C[5]N[5,6]C[5])(C[6a]C[6a]2)(SeC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]Se){1|C<3>,2|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]O)(CC[6a]Se){1|Se<2>,3|C<3>}	124.7110	0.000	1	124.7110	0.000	1	125.1043	0.402	3	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:As-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As)	C[5](N[5]C[6a]C[5])2(CC[6a]As)	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5])	C[6a](C[6a]C[6a]H)2(CC[5]As){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]As){2|H<1>,4|C<3>}	118.2090	1.655	5	118.2090	2.740	5	118.0607	1.891	7	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:As-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(AsFe)	C[6a](C[6a]C[6a]H)2(CC[5]As)	C[5](N[5]C[6a]C[5])2(CC[6a]As)	C(C[6a]C[6a]2)(C[5]N[5]2)(AsFe)	C[6a](C[6a]C[6a]H)2(CC[5]As){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]As){2|H<1>,4|C<3>}	117.6900	0.018	2	117.6900	0.000	2	118.0607	1.891	7	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a])	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	117.6320	0.000	1	117.6320	0.000	1	118.2010	0.648	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	118.7700	0.000	1	118.7700	0.000	1	118.2010	0.648	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](N[5]C[5]H)2(CC[6a]N)	C(C[6a]C[6a]2)(C[5]N[5]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](N[5]C[5]H)2(CC[6a]N){4|H<1>}	118.0490	0.000	1	118.0490	0.000	1	118.0490	0.000	1	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OB)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OB)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	123.5510	0.239	2	123.5510	0.057	2	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]O){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	121.5370	0.000	1	121.5370	0.000	1	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	126.0860	0.944	4	126.0860	0.891	4	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]O)2(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]O){2|C<3>}	129.6840	0.000	1	129.6840	0.000	1	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|C<4>,1|H<1>}	122.5670	0.205	2	122.8550	0.719	4	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){1|H<1>,1|O<2>}	124.0870	0.000	1	122.8550	0.719	4	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	122.1990	0.000	1	122.8550	0.719	4	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]O)(C[5]N[5]O)(CC[6a]O){1|C<4>,2|H<1>}	129.2460	0.662	3	129.2460	0.438	3	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]O){1|C<3>}	127.0703	1.266	3	127.0703	1.602	3	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(ONb)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(ONb)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]O){2|H<1>}	123.0505	0.896	2	123.0505	0.803	2	125.4569	7.442	20	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[6a]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[6a]N[5])(CC[6a]O){5|C<3>}	128.1360	0.000	1	128.1360	0.000	1	127.4795	0.862	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(OIr)	C[6a](C[6a]C[6a]C)2(CC[5]O)	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]N[5]2)(OIr)	C[6a](C[6a]C[6a]C)2(CC[5]O){1|C<3>,2|H<1>}	C[5](N[5]C[5]Ir)(N[5]C[5]C)(CC[6a]O){2|H<1>}	126.8230	0.000	1	126.8230	0.000	1	127.4795	0.862	2	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P)	C[5](N[5]C[6a]C[5])2(CC[6a]P)	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5])	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	117.5378	1.716	4	117.5378	2.944	4	117.2308	2.679	5	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:P-2:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PFe)	C[6a](C[6a]C[6a]H)2(CC[5]P)	C[5](N[5]C[6a]C[5])2(CC[6a]P)	C(C[6a]C[6a]2)(C[5]N[5]2)(PFe)	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	116.0030	0.000	1	116.0030	0.000	1	117.2308	2.679	5	122.7835	15.876	51	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OS)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(OS)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	130.2830	0.000	1	130.2830	0.000	1	130.2830	0.000	1	130.2830	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NO)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N){4|H<1>}	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	126.0297	2.072	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OFe)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OFe)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	125.9680	0.000	1	125.9680	0.000	1	126.7335	1.172	2	126.0297	2.072	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OH)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|N<2>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	127.4990	0.000	1	127.4990	0.000	1	126.7335	1.172	2	126.0297	2.072	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:S[5]-4:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(OC[5a])	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CC[6a]O)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(OC[5a])	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CC[6a]O){3|C<3>,3|H<1>}	125.4790	0.000	1	125.4790	0.000	1	125.4790	0.000	1	124.9827	0.418	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	124.2520	0.000	1	124.2520	0.000	1	124.7345	0.466	2	124.9827	0.418	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:2:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O)	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O)	C(C[6a]C[6a]2)(C[5]C[5]2)(OC)	C[6a](C[6a]C[6a]H)2(CC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	125.2170	0.000	1	125.2170	0.000	1	124.7345	0.466	2	124.9827	0.418	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:2:2:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C-3:N[6a]-2:N[6a]-2:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[6a](CC[5a]C[5])(N[6a]C[6a])2	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]N[6a]2)	C[6a](CC[5a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.8335	1.132	4	117.8335	1.283	4	117.8335	1.283	4	117.8335	1.283	4	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:2:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:N[6a]-2:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	117.5360	0.564	4	117.5360	0.318	4	117.5360	0.318	4	117.5360	0.318	4	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:2:	2:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:N[6a]-2:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[5](S[5]C[5])2(CC[6a]2)	C(C[6a]C[6a]N[6a])2(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]2){2|S<2>}	120.8585	3.818	2	120.8585	14.575	2	120.8585	14.575	2	120.8585	14.575	2	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:2:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C-3:N[6a]-2:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(CC[6a]C[5])(N[6a]C[6a]){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	125.9360	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C){2|H<1>,3|C<3>}	C[5](S[5]C[5])2(CC[6a]C){2|S<2>}	115.6790	0.830	2	115.6790	0.689	2	115.6790	0.689	2	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CC[5]C){1|H<1>,2|C<3>}	C[5](S[5]C[5])2(CC[6a]C){2|S<2>}	123.9980	0.000	1	123.9980	0.000	1	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(CC[5]C){1|C<3>,1|H<1>}	C[5](S[5]C[5])2(CC[6a]C){2|C<4>}	127.3970	0.000	1	127.3970	0.000	1	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]C){1|C<4>,1|S<2>}	113.9280	1.817	2	120.6916	31.929	7	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]C){2|S<2>}	125.0090	0.781	2	120.6916	31.929	7	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|N<2>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]C){2|C<4>}	125.1940	1.196	2	120.6916	31.929	7	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(C[5]S[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){3|C<3>}	C[5](S[5]C[5])2(CC[6a]C){2|S<2>}	116.5790	0.000	1	120.6916	31.929	7	121.8040	29.541	9	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]S[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](S[5]C[5])2(CC[6a]C){4|H<1>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	O[5]-2:O[5]-2:C-3:	C(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](O[5]C[5])2(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5])2(CC[6a]2){1|C<3>,1|N<2>}	119.9222	3.996	6	119.9222	15.966	6	119.9222	15.966	6	120.3951	22.395	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	Se[5]-2:C[5]-3:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](Se[5]Se[5])(C[5]C[5]H)(CC[6a]C){1|C<3>}	120.1465	1.060	2	120.1465	1.124	2	120.1465	1.124	2	121.2666	4.766	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	O[5]-2:C[5]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>}	121.6100	2.161	4	121.5466	5.520	8	121.5466	5.520	8	121.2666	4.766	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	2:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	O[5]-2:C[5]-3:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5,6])(C[5]N[5]C)(CC[6a]2){1|O<1>,2|C<4>}	121.4832	2.863	4	121.5466	5.520	8	121.5466	5.520	8	121.2666	4.766	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5]C[5,5]N[5])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(N[5]C[5])(O[5]C[5])	C(C[5]C[5,5]N[5])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	115.5855	0.118	2	115.5855	0.014	2	115.5855	0.014	2	117.2784	2.352	14	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	117.0380	1.006	9	117.0380	1.012	9	117.5606	2.170	12	117.2784	2.352	14	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5a,5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,1|O<1>}	120.0220	1.071	2	120.0220	1.146	2	117.5606	2.170	12	117.2784	2.352	14	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-2:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5])(O[5]C[5]){1|C<3>,2|C<4>}	117.3410	0.000	1	117.3410	0.000	1	117.5606	2.170	12	117.2784	2.352	14	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C)	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C){1|C<3>,1|H<1>}	113.3350	0.000	1	113.4453	0.345	3	113.4453	0.345	3	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C)	C(C[5]C[5]N[5])(CC[5a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C){1|C<3>,1|H<1>}	113.5005	0.820	2	113.4453	0.345	3	113.4453	0.345	3	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(CC[6a]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|C<4>}	C[5](C[5]C[5,6a]H)(N[5]C[5,6a])(CC[6a]C[5]){2|C<3>}	116.8482	0.419	4	116.8482	0.176	4	116.8482	0.176	4	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]F)2(CC[5]C){1|C<3>,2|F<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]C){1|C<3>,1|H<1>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]C[5])	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]C){2|C<3>}	125.1745	1.356	2	125.1745	1.837	2	122.0036	7.382	8	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(CC[5]C){1|O<2>,2|C<3>}	C[5](C[5]C[5]H)(O[5]C[5])(CC[6a]C){1|H<1>,2|C<4>}	118.3020	0.639	2	118.3020	0.409	2	122.0036	7.382	8	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]O[5]C)(O[5]C[5])(CC[6a]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]O[5]C)(O[5]C[5])(CC[6a]C){2|H<1>}	122.2690	0.739	4	122.2690	0.545	4	122.0036	7.382	8	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:Se[5]-2:C-3:	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]N[5])(CC[6a]C){2|C<3>}	115.5030	0.000	1	115.5030	0.000	1	115.5030	0.000	1	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5,5]-3:S[5]-2:C-3:	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](N[5,5]C[5,5,6]B[5])(S[5]C[5,6])(CC[6a]C)	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](N[5,5]C[5,5,6]B[5])(S[5]C[5,6])(CC[6a]C){1|H<1>,1|N<3>,5|C<3>}	113.6440	0.197	2	113.6440	0.039	2	113.6440	0.039	2	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]2){1|H<1>,1|O<2>,3|C<3>}	121.4950	3.511	2	121.4950	12.331	2	121.4950	12.331	2	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	118.1060	0.000	1	118.1060	0.000	1	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<4>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	123.6740	0.270	2	123.6740	0.073	2	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,1|H<1>,1|N<2>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	125.7800	0.000	1	121.8934	12.887	5	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	119.3237	1.005	3	121.8934	12.887	5	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	125.7160	0.000	1	121.8934	12.887	5	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CC[6a]2){1|C<3>,1|C<4>}	122.2550	2.902	2	122.2550	8.421	2	121.9431	8.996	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(O[5]C[5])(CC[6a]2){1|C<3>,1|C<4>,1|O<1>}	121.0835	3.508	2	121.0835	12.306	2	121.2003	7.783	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]O)(O[5]C[5])(CC[6a]2){1|C<4>,1|O<1>}	120.8765	3.637	2	120.8765	13.225	2	121.2003	7.783	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]O[5]N)(O[5]C[5])(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]O[5]N)(O[5]C[5])(CC[6a]2){1|C<3>}	121.3472	2.972	6	121.3472	8.831	6	121.2003	7.783	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]N)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]O)(N[5]C[5])(CC[6a]N){1|C<3>,1|H<1>}	124.7280	1.300	2	124.7280	1.689	2	124.7280	1.689	2	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(CC[6a]C[5]){1|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	126.2330	0.000	1	126.2330	0.000	1	126.2330	0.000	1	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5]){2|H<1>,5|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	116.8245	0.052	2	116.8245	0.003	2	116.8245	0.003	2	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	117.4003	1.499	6	117.4003	2.246	6	117.4003	2.246	6	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	118.9740	0.000	1	118.9740	0.000	1	122.9721	6.948	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	122.8545	1.380	2	122.8545	1.903	2	122.9721	6.948	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	124.5000	1.119	6	124.5000	1.252	6	122.9721	6.948	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(CC[6a]2){1|C<3>,1|H<1>}	118.0380	0.000	1	118.0380	0.000	1	122.9721	6.948	10	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](N[5]N[5]Co)(N[5]C[5])(CC[6a]N)	C(C[6a]C[6a]2)(C[5]N[5]2)(NCoC)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](N[5]N[5]Co)(N[5]C[5])(CC[6a]N){1|Co<6>,1|C<3>}	121.9015	0.111	2	121.9015	0.012	2	121.9015	0.012	2	120.4384	13.932	64	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	119.0975	0.349	2	119.1727	0.078	3	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	119.3230	0.000	1	119.1727	0.078	3	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.9451	1.847	12	117.9451	3.413	12	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	118.5640	0.000	1	117.6075	1.830	2	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	116.6510	0.000	1	117.6075	1.830	2	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	119.8813	1.068	3	119.8813	1.141	3	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	116.7010	0.952	2	116.7010	0.906	2	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|Au<4>,1|C<3>}	113.8620	0.000	1	116.7025	2.812	17	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.0909	1.648	12	116.7025	2.812	17	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.2475	1.213	4	116.7025	2.812	17	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.6210	1.084	6	116.6210	1.175	6	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	117.9656	0.960	8	117.9656	0.921	8	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|C<4>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.3538	0.918	5	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.2672	1.411	21	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	118.4560	0.000	1	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|Si<4>,1|C<3>}	117.5980	0.000	1	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|O<2>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.8637	1.293	4	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|N<2>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.2768	1.180	4	117.2777	1.559	36	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	118.1915	1.311	4	118.1915	1.719	4	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	119.2193	1.023	4	119.2193	1.046	4	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.5390	1.090	2	117.5390	1.189	2	117.5276	2.304	99	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:Se[5]-2:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	119.1372	0.794	4	119.1372	0.630	4	119.4728	0.724	6	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:Se[5]-2:	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5])	C(C[5]Se[5]C[5])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(Se[5]C[5]){1|C<3>,1|H<1>}	120.1440	0.617	2	120.1440	0.380	2	119.4728	0.724	6	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-3:O[5]-2:	C(C[5]N[5]O[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(N[5]C[5]Zn)(O[5]C[5])	C(C[5]N[5]O[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(N[5]C[5]Zn)(O[5]C[5]){1|C<3>,3|H<1>}	119.7348	0.914	4	119.7348	0.835	4	119.7348	0.835	4	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.8910	0.000	1	117.8910	0.000	1	120.3386	3.345	8	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5]C[5]N[5])(C[5a]C[5a]2)(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	120.6883	1.662	7	120.6883	2.761	7	120.3386	3.345	8	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,3|C<3>}	120.0500	0.000	1	120.0500	0.000	1	121.0873	1.377	3	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	121.6060	1.068	2	121.6060	1.140	2	121.0873	1.377	3	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a,5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.9170	0.642	2	117.9170	0.412	2	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(CC[5a]C[5]){1|C<3>,1|F<1>,1|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.9830	0.000	1	117.9830	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.2368	0.653	5	118.2368	0.427	5	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.1785	1.075	34	118.3576	1.297	40	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>}	119.7720	0.830	2	118.3576	1.297	40	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	119.3785	1.858	2	118.3576	1.297	40	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|S<2>}	118.9670	0.593	2	118.3576	1.297	40	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	119.2382	1.067	4	119.4214	1.473	7	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	117.9240	0.000	1	119.4214	1.473	7	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	120.5365	0.749	2	119.4214	1.473	7	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5,6]O)(N[5]C[5,6]){1|C<3>,1|C<4>,1|O<2>}	116.8220	0.000	1	116.8220	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5]){1|Au<4>,1|C<3>}	114.6080	0.754	4	116.4057	8.097	6	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Au)(N[5]C[5]){1|C<3>,1|H<1>}	120.0010	0.034	2	116.4057	8.097	6	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	119.2470	0.000	1	119.2470	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(N[5]C[5]){1|C<3>,1|O<2>}	120.6220	0.000	1	120.6220	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Au<4>,1|C<3>}	113.8620	0.000	1	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.8611	1.623	81	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|O<2>}	119.5640	0.000	1	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	117.8636	1.299	5	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	118.8132	0.995	6	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	119.1480	0.000	1	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.5580	1.364	8	117.8833	2.570	103	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]O[5]O)(N[5]C[5]){1|C<3>}	119.2856	0.999	14	119.2856	0.998	14	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.8692	0.969	8	116.8692	0.939	8	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.9023	1.426	6	117.9023	2.033	6	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|Br<1>,1|C<3>}	121.0920	1.192	2	120.1243	2.463	8	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Br)(N[5]C[5]){1|C<3>,1|H<1>}	119.8017	1.632	6	120.1243	2.463	8	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<2>,1|C<3>}	118.6740	1.466	7	119.3448	2.120	20	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	119.7907	1.542	10	119.3448	2.120	20	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|H<1>}	119.4233	0.638	3	119.3448	2.120	20	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Cl)(N[5]C[5]){1|Cl<1>,1|C<3>}	120.0228	0.697	4	120.0228	0.486	4	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,1|H<1>,1|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.5200	0.209	2	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.4874	1.509	10	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|C<3>}	117.4720	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|C<3>}	115.0678	2.020	6	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Br<1>,1|H<1>}	119.0677	1.477	4	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<2>,1|C<3>}	117.5505	0.453	2	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.8276	1.189	194	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|N<3>}	117.7080	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	119.8070	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|Cl<1>,1|C<3>}	116.8310	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<2>}	116.3500	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|N<3>}	119.7768	1.003	9	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|O<2>}	120.1170	0.132	2	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|H<1>,1|S<2>}	119.2502	1.927	4	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	118.5602	1.322	11	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.2223	1.345	6	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|H<1>,2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.2042	0.921	5	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|N<2>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.4219	0.716	13	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|N<2>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){2|H<1>}	119.4070	0.000	1	117.8797	1.839	274	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]N)(N[5]C[5]){1|C<3>,1|H<1>}	118.4630	0.000	1	118.4630	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(N[5]C[5]){1|C<3>,1|H<1>}	118.4880	0.000	1	118.4880	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.4653	1.664	3	117.4653	2.770	3	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	117.6260	0.000	1	117.6260	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.6232	1.567	24	118.6232	2.455	24	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.8455	1.785	2	118.8455	3.188	2	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	118.1146	1.058	18	118.2233	1.038	21	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	118.8760	0.332	3	118.2233	1.038	21	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]N[5a,5a]C[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	113.9920	0.000	1	113.9920	0.000	1	118.0902	2.234	555	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-3:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Zn)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Zn)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>}	119.8910	0.000	1	119.8910	0.000	1	119.8910	0.000	1	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6,6]-3:C-3:N[5]-2:	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a,6,6]N[5a])(C[5]C[5,6,6]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,2|C<3>,2|C<4>}	116.0760	0.000	1	116.0760	0.000	1	116.0760	0.000	1	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:N[5]-2:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	118.6400	0.000	1	118.6400	0.000	1	118.6400	0.000	1	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5]C[5,5a]H)(CC[5a]C[6a])(N[5]C[5,5a]){1|C<3>,1|N<3>}	117.1270	0.000	1	117.1270	0.000	1	118.6606	4.321	7	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){1|C<4>,3|C<3>}	118.5855	0.094	2	119.9813	3.149	4	118.6606	4.321	7	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]C[5]){4|C<3>}	121.3770	1.283	2	119.9813	3.149	4	118.6606	4.321	7	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N[5]-2:	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a])	C(C[5a]C[5a]S[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]H)(CC[5a]C[6a])(N[5]C[5,6a]){2|C<3>}	116.7860	0.352	2	116.7860	0.124	2	118.6606	4.321	7	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5]){2|H<1>,5|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.2455	3.299	2	116.8680	6.603	3	116.8680	6.603	3	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[6a]C[6a,6a]2)(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5a]C[5]){2|H<1>,5|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<4>,1|H<1>}	118.1130	0.000	1	116.8680	6.603	3	116.8680	6.603	3	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6,6a]C[6a])(C[5]C[5]N[5])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5])	C(C[6a]C[6,6a]C[6a])(C[5]C[5]N[5])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5]2){1|C<4>,1|H<1>,2|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	118.5005	4.092	2	118.5005	16.745	2	118.5005	16.745	2	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5])	C(C[6a]C[6a,6a]2)(C[5]C[5]N[5])2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[5]2){2|H<1>,5|C<3>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	116.2495	3.613	2	116.2495	13.051	2	116.2495	13.051	2	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[6,6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5])	C(C[6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(CC[5a]C[5]){1|C<4>,1|H<1>,2|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>}	116.2990	0.000	1	116.2990	0.000	1	116.2990	0.000	1	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-2:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5]){1|H<1>,4|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]){1|C<3>,1|H<1>}	115.9450	0.000	1	115.9450	0.000	1	115.9450	0.000	1	118.0614	2.474	694	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]U)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]U){1|C<4>,1|H<1>}	117.1877	1.086	6	117.1877	1.179	6	117.4070	1.319	7	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H)	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	118.7230	0.000	1	118.7230	0.000	1	117.4070	1.319	7	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(S[5]C[5]Re)(C[5]C[5]H)	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(S[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|H<1>}	117.8515	1.399	2	117.8515	1.958	2	117.9200	0.993	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](CC[6a]C[5])(S[5]C[5]Rh)(C[5]C[5]H)	C(C[5]C[5]N[5])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](CC[6a]C[5])(S[5]C[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	118.0570	0.000	1	118.0570	0.000	1	117.9200	0.993	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5])	C(C[5]C[5]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|C<4>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	116.9300	0.000	1	116.9300	0.000	1	117.2047	0.996	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O)	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	117.2596	1.106	5	117.2596	1.223	5	117.2047	0.996	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]C){3|H<1>,4|C<3>}	115.1980	0.000	1	115.1980	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[6a]C){1|H<1>,2|C<3>}	118.2910	0.000	1	118.2910	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	119.8597	1.072	3	119.7770	0.793	4	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	119.5290	0.000	1	119.7770	0.793	4	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	118.6440	0.000	1	118.6440	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	125.7635	0.252	2	125.7635	0.064	2	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	123.5510	0.000	1	123.5510	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CC[6a]C){1|C<4>,3|C<3>,3|H<1>}	113.9600	0.000	1	113.9600	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	122.7420	0.000	1	122.7420	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	123.4310	0.000	1	125.3893	3.079	3	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	126.3685	0.637	2	125.3893	3.079	3	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	125.9235	0.521	2	125.9235	0.272	2	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	127.0490	0.000	1	127.0490	0.000	1	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|C<4>,1|H<1>,2|C<3>}	125.2205	0.350	2	125.7493	0.900	3	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	126.8070	0.000	1	125.7493	0.900	3	122.6349	16.105	21	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	119.6940	0.000	1	119.6940	0.000	1	119.6940	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]N[5])(N[5]N[5]Rh)(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(N[5]N[5]Rh)(CC[6a]C){1|Rh<6>,2|C<3>}	117.8090	0.129	2	117.8090	0.017	2	117.8090	0.017	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(CC[6a]C){1|C<3>,1|N<2>,2|C<4>}	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(CC[5]C[6]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C[6]){2|H<1>,4|C<3>}	125.0060	0.000	1	125.0060	0.000	1	125.0060	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	124.2960	0.000	1	124.2960	0.000	1	123.0154	1.754	25	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	123.2942	1.367	6	123.2942	1.869	6	123.0154	1.754	25	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	123.3017	1.717	3	122.7788	1.668	16	123.0154	1.754	25	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	122.6582	1.228	13	122.7788	1.668	16	123.0154	1.754	25	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])2(CC[6a]2){4|C<3>}	123.4315	2.095	2	123.4315	4.390	2	123.0154	1.754	25	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|I<1>,4|C<3>}	122.9635	0.083	2	122.4405	3.121	4	122.5107	3.089	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]2){2|H<1>,4|C<3>}	121.9175	2.874	2	122.4405	3.121	4	122.5107	3.089	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2){2|C<3>,2|H<1>}	122.6510	2.454	2	122.6510	6.020	2	122.5107	3.089	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|O<1>,4|C<3>}	121.9500	1.832	6	121.9500	3.358	6	121.9500	3.358	6	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CC[6a]2){1|H<1>,2|C<3>}	121.4645	7.919	2	121.4645	62.709	2	121.9079	8.531	10	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]N)(N[5]C[5]S)(CC[6a]2){4|H<1>}	122.4785	0.703	4	122.4785	0.494	4	121.9079	8.531	10	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CC[6a]2){1|C<4>,4|C<3>}	122.3865	0.196	2	122.3865	0.038	2	121.9079	8.531	10	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]H)(N[5]N[5]C)(CC[6a]2){1|C<3>}	120.7315	2.761	2	120.7315	7.625	2	121.9079	8.531	10	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]N){2|H<1>,4|C<3>}	124.0260	0.000	1	124.0260	0.000	1	124.0260	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]N){2|C<3>,3|H<1>}	121.9440	0.427	3	121.9440	0.182	3	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	123.1470	0.000	1	123.1470	0.000	1	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	121.2853	0.312	3	121.2853	0.097	3	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CC[6a]N){1|H<1>,5|C<3>}	123.4700	0.000	1	123.4700	0.000	1	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(CC[6a]N){1|N<2>,2|C<3>}	123.3785	0.052	2	123.3785	0.003	2	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]N){1|H<1>,2|C<3>}	122.3395	0.456	2	122.3395	0.208	2	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]N){2|C<3>,2|C<4>}	122.0130	0.270	2	122.0130	0.073	2	122.2691	0.683	14	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]N)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(NHS)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]N){2|C<3>}	126.7580	0.000	1	126.7580	0.000	1	126.7580	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	N[5,6]-3:N[5]-3:C-3:	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CC[6a]N)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]2)(N[5]C[6a]N[5])(CC[6a]N){1|H<1>,2|C<4>,3|C<3>}	124.7020	0.000	1	124.7020	0.000	1	124.7020	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(N[5]C[5]H){1|H<1>,1|O<1>}	121.9020	0.713	2	121.9020	0.508	2	122.1773	0.481	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Re)(N[5]C[5]C){1|C<3>,1|O<1>}	122.7280	0.000	1	122.7280	0.000	1	122.1773	0.481	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Ni)(C[5]C[5]H){1|O<2>,2|C<3>}	117.3895	0.456	2	117.3895	0.208	2	117.7623	0.521	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(N[5]C[5]Ir)(C[5]C[5]H){1|C<3>,2|H<1>}	118.5080	0.000	1	118.5080	0.000	1	117.7623	0.521	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(O[5]C[5]Co)(C[5]C[5]H){1|C<3>,1|H<1>}	116.7130	1.099	2	116.7130	1.207	2	115.9320	1.394	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(O[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	115.1510	0.731	2	115.1510	0.535	2	115.9320	1.394	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Pd)(C[5]C[5]H){1|C<3>,1|H<1>}	117.4550	0.570	4	117.4550	0.325	4	117.0197	0.828	11	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Re)(C[5]C[5]H){1|C<3>,1|H<1>}	118.1620	0.298	2	118.1620	0.089	2	117.0197	0.828	11	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Rh)(C[5]C[5]H){1|C<3>,1|H<1>}	116.8220	0.000	1	116.8220	0.000	1	117.0197	0.828	11	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:S[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]S[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(S[5]C[5]Ru)(C[5]C[5]H){1|C<3>,1|H<1>}	116.0627	0.218	4	116.0627	0.048	4	117.0197	0.828	11	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-3:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(CC[5a]C[6a])(C[5]N[5]H){1|Re<6>,1|C<3>,1|N<3>}	113.5600	0.000	1	113.5600	0.000	1	113.5600	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])(C[5]O[5]O){1|H<1>,2|C<3>}	123.6075	1.299	2	123.6075	1.687	2	123.6075	1.687	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a])	C(C[5a]C[5a,6a]N[5a])(C[5]C[5,6a]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]Pt)(CC[5a]C[6a]){1|H<1>,1|O<2>,3|C<3>}	116.3920	0.000	1	116.3920	0.000	1	116.3920	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(CC[5a]C[6a])(N[5]N[5]Pd){1|Pd<4>,3|C<3>}	115.5755	0.537	2	115.5755	0.288	2	115.5755	0.288	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|C<4>}	C[5](N[5]C[5,6a]Ni)(C[5]C[5,6a]O)(CC[5a]C[6a]){2|C<3>}	122.1020	0.000	1	122.1020	0.000	1	122.1020	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>,1|H<1>}	118.0950	0.000	1	118.0950	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Cu)(C[5]N[5]O){1|C<3>}	120.7820	0.000	1	120.7820	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]O){1|C<3>}	119.4560	0.000	1	119.4560	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]O){2|C<3>}	118.9830	1.225	2	118.9830	1.500	2	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]N[5]H){1|C<3>}	117.3080	0.000	1	117.3080	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]H)(C[5]N[5]H){1|C<3>}	119.0260	0.000	1	119.0260	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Pd)(C[5]C[5]C){2|C<3>}	119.6360	0.424	2	119.6360	0.180	2	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Pt)(C[5]C[5]C){2|C<3>}	119.4445	1.310	2	119.4445	1.717	2	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Re)(C[5]N[5]O){1|C<3>,1|C<4>}	123.1490	0.000	1	123.1490	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]Ru)(C[5]C[5]C){2|C<3>}	120.3930	0.458	2	120.3930	0.210	2	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]S)(C[5]N[5]H){1|C<3>}	117.6130	0.000	1	117.6130	0.000	1	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-3:C[5]-3:	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]C)(C[5]C[5]H){2|C<3>}	118.2572	1.922	4	118.2572	3.696	4	119.2301	2.621	19	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){1|H<1>,2|C<3>}	116.5600	0.000	1	116.5600	0.000	1	116.2443	0.167	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]N[5a,5a]C[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5]N[5a]N[5])(CC[5a]C[6a])(C[5]C[5]H){3|C<3>}	116.0865	0.431	2	116.0865	0.185	2	116.2443	0.167	3	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[5a]C[6a]){2|C<3>}	118.9025	1.047	2	118.9025	1.097	2	118.9025	1.097	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:As-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5]Fe)	C[6a](C[6a]C[6a]H)2(CC[5]As)	C[5](N[5]C[6a]C[5])2(CC[6a]As)	C(C[6a]C[6a]2)(C[5]N[5]2)(AsC[5]Fe)	C[6a](C[6a]C[6a]H)2(CC[5]As){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]As){2|H<1>,4|C<3>}	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C)	C[5](C[5]C[5]C)2(CC[6a]C)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5]C){2|H<1>,3|C<3>}	C[5](C[5]C[5]C)2(CC[6a]C){1|C<2>,1|N<3>}	118.0572	0.264	4	118.0572	0.070	4	118.0572	0.070	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]C){3|H<1>}	116.0617	0.999	3	116.0617	0.998	3	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]C){1|C<2>,3|C<3>}	120.1220	0.000	1	120.1220	0.000	1	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]C){1|C<3>}	125.9460	0.000	1	125.9460	0.000	1	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]N)(CC[6a]C){4|C<3>}	117.4330	0.000	1	117.4330	0.000	1	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	126.1870	0.000	1	126.1870	0.000	1	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]C){1|C<3>,3|H<1>}	116.2020	0.000	1	116.2020	0.000	1	119.2594	19.829	8	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]C){2|H<1>,4|C<3>}	119.7570	0.252	2	119.0907	1.364	3	118.5397	2.123	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](N[5]C[6a]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]C){4|C<3>,4|H<1>}	117.7580	0.000	1	119.0907	1.364	3	118.5397	2.123	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](N[5]C[5]C)2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(CC[6a]C){2|C<4>}	116.8870	0.000	1	116.8870	0.000	1	118.5397	2.123	4	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)2	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](C[5]C[5a]C[5])(CC[6a]C[5])(C[5]N[5]H){1|N<3>,2|C<3>}	117.9130	0.000	1	117.9130	0.000	1	116.3050	5.171	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C-3:C[5]-3:	C(C[6a]C[6a]2)(C[5]C[5]2)2	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H)	C(C[6a]C[6a]2)(C[5]C[5]2)2	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](C[5]N[5a]N[5])(CC[6a]C[5])(C[5]C[5]H){1|H<1>,2|C<3>}	114.6970	0.000	1	114.6970	0.000	1	116.3050	5.171	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)2	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]N[5]2)2	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(CC[6a]C[5]){2|C<3>}	119.0010	0.488	2	119.0010	0.238	2	119.0010	0.238	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NCH)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	122.4134	0.930	15	122.4134	0.866	15	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[3]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	122.7640	0.000	1	122.7640	0.000	1	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]H)(CC[6a]N){2|H<1>}	119.7246	0.375	5	119.7246	0.140	5	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CC[6a]N){1|H<1>,3|C<3>}	121.3945	0.206	2	121.3945	0.042	2	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	122.3815	0.868	22	122.3815	0.753	22	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]N){1|C<3>}	123.0860	1.575	3	123.0860	2.479	3	122.1256	1.473	48	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:P-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5]Fe)	C[6a](C[6a]C[6a]H)2(CC[5]P)	C[5](N[5]C[6a]C[5])2(CC[6a]P)	C(C[6a]C[6a]2)(C[5]N[5]2)(PC[5]Fe)	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])2(CC[6a]P){2|H<1>,4|C<3>}	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a,6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[6a]C[6a,6a]2)2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(CC[6a]C[5]){2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	120.2190	0.103	2	120.2190	0.011	2	120.2190	0.011	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])2(C[5]C[5,6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]2){2|H<1>,4|C<3>}	123.1095	2.070	2	123.1095	4.284	2	123.1095	4.284	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]2)(C[5]O[5]C)(CC[6a]2){1|O<1>,2|C<4>}	120.5650	0.182	2	120.5650	0.033	2	121.5855	0.875	18	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]C)(CC[6a]2){1|O<1>}	121.4611	0.949	8	121.4611	0.900	8	121.5855	0.875	18	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]2){1|O<1>}	122.0720	1.004	2	122.0720	1.008	2	121.5855	0.875	18	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]H)2(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)2(CC[6a]2){2|H<1>}	121.7970	0.599	4	121.7970	0.359	4	121.5855	0.875	18	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(C[5]C[5]N)(CC[6a]2){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	122.1940	1.687	2	122.1940	2.846	2	121.5855	0.875	18	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C)	C(N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CN[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[5a])(C[5]C[5]C){2|C<3>,2|H<1>}	123.0130	0.725	2	123.0130	0.526	2	123.0130	0.526	2	120.7889	8.677	253	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]){1|N<2>,2|H<1>}	118.6170	0.000	1	118.6170	0.000	1	119.1937	3.703	7	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]){1|C<3>,2|C<4>}	119.2810	0.000	1	119.2810	0.000	1	119.1937	3.703	7	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>}	118.9520	0.086	2	118.2993	0.712	4	119.1937	3.703	7	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|O<2>}	C[5](CC[5a]C[6a])(C[5]C[5]HO)(N[5]C[5]){1|C<3>,1|H<1>,1|O<2>}	117.6465	0.651	2	118.2993	0.712	4	119.1937	3.703	7	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5]){1|C<3>}	123.2610	0.000	1	123.2610	0.000	1	119.1937	3.703	7	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:O[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<4>}	128.2690	0.000	1	128.2690	0.000	1	128.2690	0.000	1	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[5a]-3:C[5]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-2:	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]CH)(N[5]C[5])	C(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]C[5]N[5])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[5a]C[5]){1|H<1>,4|C<3>}	C[5](CC[5a]C[6a])(C[5]C[5]CH)(N[5]C[5]){1|H<1>,2|C<3>}	119.2060	1.044	2	119.2060	1.089	2	119.2060	1.089	2	120.1037	10.821	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C)	C(CC[5,6]C[6a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]C){1|C<3>,2|B<3>,4|H<1>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5]H)(CC[5a]C[6a]){1|H<1>,5|C<3>}	118.0770	0.000	1	118.0770	0.000	1	120.1787	3.325	3	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a])	C(C[5]C[5,6a]C[5])(C[5a]C[5a]N[5a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]PdC)(CC[5a]C[6a]){1|H<1>,3|C<3>}	121.2295	0.156	2	121.2295	0.024	2	120.1787	3.325	3	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]C){2|C<3>,3|H<1>}	121.6190	0.000	1	121.6190	0.000	1	121.7520	0.035	2	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CC[6a]C){1|H<1>,3|C<3>}	121.8850	0.000	1	121.8850	0.000	1	121.7520	0.035	2	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5a]-3:C[5]-4:C-3:	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2)	C(C[5]C[5,5a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|H<1>,2|N<2>}	122.3030	1.051	2	122.3030	1.104	2	122.3030	1.104	2	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]2){2|C<3>,3|C<4>,3|H<1>}	122.4600	1.294	4	122.4600	1.674	4	122.4600	1.674	4	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]2){1|C<4>,2|C<3>,2|H<1>}	122.1630	2.967	2	122.1630	8.803	2	122.1630	8.803	2	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(CC[6a]2){1|C<4>,2|H<1>,3|C<3>}	123.5644	2.033	8	123.5644	4.134	8	122.8249	5.901	14	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]2){3|C<3>,3|H<1>}	121.6910	3.660	2	121.6910	13.395	2	122.8249	5.901	14	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CC[6a]2){1|H<1>,4|C<3>}	121.5080	4.047	2	121.5080	16.382	2	122.8249	5.901	14	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CC[6a]2){1|H<1>,3|C<3>}	122.3175	2.658	2	122.3175	7.065	2	122.8249	5.901	14	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ni)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ni){1|C<4>,1|H<1>,1|N<2>}	119.2820	0.000	1	119.2820	0.000	1	118.0057	1.548	7	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Fe)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Fe){1|C<3>,2|H<1>}	117.2000	0.504	4	117.2000	0.254	4	118.0057	1.548	7	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]C[5]HH)(N[5]C[5]Ir){1|C<3>,1|H<1>}	117.8820	0.000	1	117.8820	0.000	1	118.0057	1.548	7	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C[5]-4:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn){1|C<3>}	120.0760	0.000	1	120.0760	0.000	1	118.0057	1.548	7	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C-3:P[5]-4:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[5]C[5]P[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](CC[5a]C[6a])(P[5]C[5]CS)(C[5]C[5]C){1|C<4>,2|C<3>}	117.1200	0.000	1	117.1200	0.000	1	117.1200	0.000	1	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a])	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]NiC)(CC[5a]C[6a]){1|N<2>,2|C<3>}	122.1870	1.045	3	122.1870	1.093	3	122.1870	1.093	3	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5])(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	116.6820	0.000	1	116.6820	0.000	1	116.7405	3.525	4	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC[6a]C){4|C<3>}	116.1030	0.000	1	116.1030	0.000	1	116.7405	3.525	4	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]C){1|C<3>,1|C<4>,4|H<1>}	114.8610	0.000	1	114.8610	0.000	1	116.7405	3.525	4	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[3,5]H)(C[5]C[5]HH)(CC[6a]C){1|O<1>,2|C<4>}	119.3160	0.000	1	119.3160	0.000	1	116.7405	3.525	4	120.7526	9.423	43	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2)	C(C[5]C[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]2){1|C<4>}	120.8780	5.402	2	120.8780	29.185	2	120.8780	29.185	2	123.7932	17.171	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCN)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N){1|C<4>,1|O<1>}	124.3870	0.494	2	124.3870	0.244	2	125.7367	5.587	3	123.7932	17.171	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]N)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(NCS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(O[5]C[5])(CC[6a]N){4|H<1>}	128.4360	0.000	1	128.4360	0.000	1	125.7367	5.587	3	123.7932	17.171	5	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.0100	3.434	2	116.9410	5.909	3	116.8840	3.953	4	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,5]C[5,5]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	116.8030	0.000	1	116.9410	5.909	3	116.8840	3.953	4	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5,5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,5]C[5,5]O[5]H)(CC[5a]C[6a])(N[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.7130	0.000	1	116.7130	0.000	1	116.8840	3.953	4	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5])	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>}	116.1930	0.358	2	116.1930	0.128	2	118.7617	5.146	7	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]NiC)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]NiC)(CC[5a]C[6a])(N[5]C[5]){2|C<3>}	120.7747	1.452	3	120.7747	2.109	3	118.7617	5.146	7	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:2:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-2:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(CC[5a]C[6a])(N[5]C[5]){1|H<1>,4|C<3>}	118.3110	0.877	2	118.3110	0.769	2	118.7617	5.146	7	118.0789	5.171	11	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C-3:N[5]-3:	C(C[5]C[5,5]N[5])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2)	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H)	C(C[5]C[5,5]N[5])(C[5]N[5]O[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5]2){1|C<3>,2|F<1>}	C[5](C[5,5]C[5,5]C[5]F)(CC[6a]C[5])(N[5]C[5]H){1|C<3>,1|C<4>,1|F<1>,1|N<3>,2|H<1>}	121.2090	0.727	2	121.2090	0.528	2	121.2090	0.528	2	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C){1|C<3>,1|H<1>}	115.2160	0.000	1	115.2160	0.000	1	115.2160	0.000	1	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2)	C(C[5]C[5,5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2){1|H<1>,2|C<4>,3|C<3>}	123.3340	0.857	2	123.3340	0.734	2	123.3340	0.734	2	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|N<3>,2|C<3>,3|H<1>}	121.8151	1.648	26	121.8060	2.449	30	121.8060	2.449	30	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-3:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]H)(CC[6a]2){1|O<2>,2|C<3>,3|H<1>}	121.7465	1.014	4	121.8060	2.449	30	121.8060	2.449	30	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(N[5]C[5,6a]S)(CC[6a]2){2|C<3>}	121.7860	4.286	2	121.7860	18.374	2	121.9410	6.916	4	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:N[5]-3:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2)	C(C[5]C[5]N[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2){1|O<1>,2|H<1>}	122.0960	1.509	2	122.0960	2.277	2	121.9410	6.916	4	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5,6a]-3:C-3:	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5])	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a])	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)2(CC[5a]C[5]){1|C<3>,2|F<1>}	C[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[5a]C[6a]){1|H<1>,6|C<3>}	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]AgH)(CC[5a]C[6a])(N[5]C[5]Co)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]AgH)(CC[5a]C[6a])(N[5]C[5]Co){2|H<1>}	117.0200	0.000	1	117.0200	0.000	1	118.1396	1.197	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>}	117.5380	0.000	1	117.5380	0.000	1	118.1396	1.197	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(N[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(N[5]C[5]H){1|C<3>,1|H<1>}	117.7890	0.000	1	117.7890	0.000	1	118.1396	1.197	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:N[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(N[5]C[5]Mn)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(N[5]C[5]Mn){1|C<3>,1|H<1>}	119.1755	0.950	2	119.1755	0.902	2	118.1396	1.197	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	N[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5]FeN)(CC[5a]C[6a])(C[5]C[5]H){1|C<3>,1|H<1>}	114.4975	0.694	2	114.4975	0.481	2	114.4975	0.481	2	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]FeC)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	118.7560	0.000	1	118.7560	0.000	1	117.8435	0.480	8	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]LiH)(CC[5a]C[6a])(C[5]N[5]H){1|C<3>,1|H<1>}	117.1060	0.000	1	117.1060	0.000	1	117.8435	0.480	8	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H){1|Mn<5>,1|C<3>}	117.4050	0.528	2	117.8517	0.653	4	117.8435	0.480	8	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]MnH)(CC[5a]C[6a])(C[5]N[5]H){1|Mn<5>,1|C<4>}	118.2985	0.940	2	117.8517	0.653	4	117.8435	0.480	8	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[5a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:C[5]-3:	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5])	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]PdO)(CC[5a]C[6a])(C[5]C[5]C){2|C<3>}	117.7395	0.053	2	117.7395	0.003	2	117.8435	0.480	8	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[4]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[4]C[4]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[4]C[5])	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4])	C(C[6a]C[6a]2)(C[4]C[4]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[4]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[4])(CC[6a]C[4]){1|H<1>,2|C<4>,4|C<3>}	117.7850	0.000	1	117.7850	0.000	1	117.7850	0.000	1	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CBH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C){2|C<4>}	115.9640	0.000	1	115.9640	0.000	1	120.5760	10.740	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){1|C<3>,2|H<1>}	123.0120	0.000	1	123.0120	0.000	1	120.5760	10.740	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C){4|C<3>}	118.4950	0.000	1	118.4950	0.000	1	120.5760	10.740	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]C){2|C<3>,2|H<1>}	123.7920	0.000	1	123.7920	0.000	1	120.5760	10.740	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]H)(CC[6a]C){2|C<3>}	121.6170	0.000	1	121.6170	0.000	1	120.5760	10.740	5	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5])	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]C[5]){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2){1|H<1>,3|C<4>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:C-3:	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5,5]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]Fe)(C[5]N[5]O)(CC[6a]2){1|H<1>,3|C<4>}	123.5840	0.000	1	123.5840	0.000	1	123.5840	0.000	1	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NHS)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CC[6a]N){1|C<4>,2|H<1>,3|C<3>}	122.4380	0.000	1	122.4380	0.000	1	120.6960	6.069	2	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(NNV)	C[6a](C[6a]C[6a]H)2(CC[5]N)	C[5](C[5]N[5]OV)(C[5]N[5]C)(CC[6a]N)	C(C[6a]C[6a]2)(C[5]C[5]2)(NNV)	C[6a](C[6a]C[6a]H)2(CC[5]N){1|C<3>,2|H<1>}	C[5](C[5]N[5]OV)(C[5]N[5]C)(CC[6a]N){1|C<3>}	118.9540	0.000	1	118.9540	0.000	1	120.6960	6.069	2	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	122.6020	5.064	2	122.6020	25.647	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	122.2918	2.332	4	122.2918	5.439	4	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]2){2|C<3>}	122.6680	2.606	2	122.6680	6.793	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[6a]2){1|H<1>,2|C<3>}	121.8760	1.594	2	121.8760	2.540	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]N)(CC[6a]2){4|H<1>}	123.2770	0.496	2	123.2770	0.246	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	123.6245	1.480	2	123.6245	2.190	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]2){1|C<3>,1|H<1>,2|C<4>}	122.6595	1.459	2	122.6595	2.128	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]2){1|C<3>,2|H<1>}	121.9525	0.360	2	121.9525	0.130	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5a]C[5]H)(C[5]C[5]H)(CC[6a]2){2|H<1>,3|C<3>}	121.2940	2.367	2	121.2940	5.605	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]N[5]C)(CC[6a]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.9625	3.034	2	122.9625	9.206	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CC[6a]2){1|S<4>,4|C<3>}	121.7095	2.621	2	121.7095	6.871	2	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]N[5]H)(CC[6a]2){1|S<4>,2|C<3>}	122.0320	0.897	4	122.0320	0.804	4	122.3766	3.353	28	121.0679	6.447	93	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:C[5]-4:C-3:	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2)	C(C[5]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(C[5]N[5]HH)(CC[6a]2){1|C<3>,1|N<3>,1|S<4>,6|H<1>}	123.3572	1.927	6	123.3572	3.713	6	123.3572	3.713	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5])	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]B[5]){2|C<3>,2|H<1>}	120.6540	0.000	1	120.6540	0.000	1	119.5805	0.601	4	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5])	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5]){1|S<4>,2|H<1>}	119.6070	0.000	1	119.6070	0.000	1	119.5805	0.601	4	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:B[5]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5])	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CB[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5]){2|H<1>}	119.0305	0.213	2	119.0305	0.045	2	119.5805	0.601	4	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){4|H<1>}	119.5480	0.000	1	119.5480	0.000	1	121.1695	5.259	2	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(COO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){4|H<1>}	122.7910	0.000	1	122.7910	0.000	1	121.1695	5.259	2	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5])	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2){4|H<1>}	122.2690	0.000	1	122.2690	0.000	1	122.0480	1.517	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2){4|H<1>}	121.1350	0.000	1	121.1350	0.000	1	122.0480	1.517	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2){4|H<1>}	120.7670	0.000	1	120.7670	0.000	1	122.0480	1.517	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2){1|S<4>,2|H<1>}	122.7515	1.937	2	122.7515	3.751	2	122.0480	1.517	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2)	C(C[6a]C[6a]2)2(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]2){4|H<1>}	122.6140	0.000	1	122.6140	0.000	1	122.0480	1.517	6	121.8384	4.035	18	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:N[6a]-2:C-3:	C[5]-3:N[5]-3:C-3:	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C)	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]H)(CC[6a]C){1|C<4>,1|O<1>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	S[5]-2:S[5]-2:C-3:	C(C[6a]C[6a]2)(C[5]S[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C[5](S[5]C[5])2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]S[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<2>,1|C<3>,1|H<1>}	C[5](S[5]C[5])2(CC[6a]C){2|C<3>}	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:O[5]-2:C-3:	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C)	C(C[5]C[5,6a]O[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	123.2985	0.592	2	123.2985	0.350	2	123.2985	0.350	2	123.0957	0.299	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:N[5]-2:C-3:	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]C)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]O[5]O)(N[5]C[5])(CC[6a]C){1|C<3>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	123.0957	0.299	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-3:O[5]-3:C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C)	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5])(O[5]B[5]Li)(CC[6a]C){1|C<4>,1|H<1>,4|C<3>}	122.2020	0.000	1	122.2020	0.000	1	122.2020	0.000	1	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	122.1760	0.000	1	122.1760	0.000	1	122.4540	0.085	3	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,6a]-3:C-3:	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CCHO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(CC[6a]C){2|H<1>,4|C<3>}	122.5930	0.232	2	122.5930	0.054	2	122.4540	0.085	3	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CC[6a]C){1|N<2>,2|C<3>,2|H<1>}	126.1570	0.000	1	126.1570	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCO)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[6a]C){1|H<1>,3|C<3>}	116.3500	0.000	1	116.3500	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]C){1|H<1>,3|C<3>}	121.5330	0.000	1	121.5330	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,1|S<4>,2|C<3>}	119.9410	0.000	1	120.8220	1.133	3	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	121.2625	1.050	2	120.8220	1.133	3	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]CH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC[6]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){1|H<1>,3|C<3>}	121.7145	1.241	2	121.7145	1.540	2	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]C){2|C<3>,2|H<1>}	121.6920	0.000	1	121.6920	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-3:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]C){1|H<1>,2|C<3>}	119.6360	0.000	1	119.6360	0.000	1	120.9869	5.774	11	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:S[5]-3:C-3:	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C)	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]C)	C(C[5]C[5]S[5])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CC[6a]C){2|C<3>}	117.4023	0.658	6	117.4023	0.433	6	117.4023	0.433	6	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:P[6]-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C-3:C[5]-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P[6])	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P[6]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]P[6])(C[5]N[5]O){1|H<1>,1|O<2>,2|C<3>}	123.1025	0.199	2	123.1025	0.039	2	123.1025	0.039	2	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:N[5]-3:C-3:	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si){1|H<1>,1|O<1>,4|C<3>}	119.8144	3.388	5	119.8144	11.476	5	119.8144	11.476	5	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]O)2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	122.7890	0.000	1	122.7890	0.000	1	122.5553	0.481	3	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]O[5]O)(CC[6a]C){1|C<3>}	121.7750	0.000	1	121.7750	0.000	1	122.5553	0.481	3	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-3:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[6a]C){1|O<1>}	123.1020	0.000	1	123.1020	0.000	1	122.5553	0.481	3	120.5735	6.997	31	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5,5,6]-4:C-3:	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C)	C(C[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CC[6a]C){2|C<3>,3|C<4>,3|H<1>}	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	125.0530	4.556	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:C[5]-4:C-3:	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	126.3630	0.000	1	126.3630	0.000	1	126.3630	0.000	1	125.0530	4.556	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6a]-3:Si[5]-4:C-3:	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C)	C(C[5]C[5,6a]Si[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(Si[5]C[5,6a]CC)(CC[6a]C){1|H<1>,3|C<3>}	126.2060	0.000	1	126.2060	0.000	1	126.2060	0.000	1	125.0530	4.556	3	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:O[5]-2:C-3:	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C)	C(C[5]C[5,5]O[5])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]N[5]S[5])(O[5]C[5])(CC[6a]C){1|O<1>,2|C<3>,3|C<4>}	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	121.7087	2.556	7	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5,6]-4:O[5]-2:C-3:	C(C[5]C[5,6]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CC[6a]C)	C(C[5]C[5,6]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(O[5]C[5])(CC[6a]C){1|C<3>,2|N<3>,2|O<1>,3|H<1>}	123.9825	0.163	2	123.9825	0.027	2	123.9825	0.027	2	121.7087	2.556	7	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:O[5]-2:C-3:	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C)	C(C[5]C[5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(O[5]C[5])(CC[6a]C){1|C<4>,1|O<1>}	120.9155	0.433	4	120.9155	0.187	4	120.9155	0.187	4	121.7087	2.556	7	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5,5]-4:N[5]-3:C-3:	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(SiC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[5]Si)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si)	C(C[5]C[5,5]N[5])(C[6a]C[6a]2)(SiC[6a]CO)	C[6a](C[6a]C[6a]H)2(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(CC[6a]Si){1|O<1>,2|C<4>,4|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){1|C<3>,3|H<1>}	120.1115	0.306	2	120.9345	3.576	4	121.7320	5.038	6	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]C){4|H<1>}	121.7575	2.815	2	120.9345	3.576	4	121.7320	5.038	6	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]C){1|S<4>,2|H<1>}	125.1750	0.000	1	125.1750	0.000	1	121.7320	5.038	6	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CC[6a]C){2|C<3>,2|H<1>}	121.4790	0.000	1	121.4790	0.000	1	121.7320	5.038	6	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:P-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P)	C(C[6a]C[6a]2)(C[5]C[5]2)(PC[6a]2O)	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]P){2|C<3>,2|H<1>}	118.9470	0.000	1	118.9470	0.000	1	118.9470	0.000	1	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si)	C(C[6a]C[6a]2)(C[5]C[5]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]Si){1|Si<4>,1|O<1>}	119.3670	0.000	1	119.3670	0.000	1	119.6595	0.171	2	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-3:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(CC[5]Si)	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	C(C[6a]C[6a]2)(C[5]C[5]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	119.9520	0.000	1	119.9520	0.000	1	119.6595	0.171	2	120.8872	4.097	10	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[5]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:C-3:	P[5]-4:C[5]-4:C-3:	C(C[5]C[5]P[5])(C[6a]C[6a]2)(PC[6a]MoH)	C[6a](C[6a]C[6a]H)2(CC[5]P)	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]P)	C(C[5]C[5]P[5])(C[6a]C[6a]2)(PC[6a]MoH)	C[6a](C[6a]C[6a]H)2(CC[5]P){1|C<3>,2|H<1>}	C[5](P[5]C[6a]O[5]Mo)(C[5]C[5]HH)(CC[6a]P){2|C<3>,2|H<1>}	122.6200	0.000	1	122.6200	0.000	1	122.6200	0.000	1	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5,6a]HS)2(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CC3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HS)2(CC[6a]C){2|C<3>}	115.3470	0.000	1	115.3470	0.000	1	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCHH)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C){1|C<4>,1|H<1>,1|S<4>}	121.5845	0.636	2	121.5845	0.404	2	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C){1|S<4>,2|H<1>}	120.5250	0.000	1	120.5250	0.000	1	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	122.2210	0.000	1	122.2210	0.000	1	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C){2|H<1>}	123.2610	0.000	1	123.2610	0.000	1	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(CC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(C[5]O[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	122.2020	0.000	1	122.2020	0.000	1	120.9607	6.884	7	121.1681	6.245	8	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	6:4:3:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5x3,6x5,20x6]-6:C[5]-4:C-3:	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]Si)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si)	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si){1|C<4>,5|B<6>,5|H<1>}	120.0645	5.588	2	118.5207	22.765	3	119.7452	21.175	4	119.7452	21.175	4	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	6:4:3:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5x3,6x5,20x6]-6:C[5]-4:C-3:	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]Si)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si)	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si){5|B<6>,6|H<1>}	115.4330	0.000	1	118.5207	22.765	3	119.7452	21.175	4	119.7452	21.175	4	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:3:4:	3:3:3:	6:4:3:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:C-3:	C[5x3,6x5,20x6]-6:C[5]-4:C-3:	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si)	C(C[5]C[5x3,6x5,20x6]C[5])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(CC[5]Si){1|C<3>,2|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(C[5]C[5]HH)(CC[6a]Si){1|C<4>,5|B<6>,5|H<1>}	123.4190	0.000	1	123.4190	0.000	1	119.7452	21.175	4	119.7452	21.175	4	122.7653	30.490	2156	122.7933	30.267	2187
930	643	818	0:SP2_SP2_SP2	C	C[6a]	C[5]	3:4:3:	3:3:3:	4:4:3:	C[6a]-3:C[5]-4:C[5]-3:	C[6a]-3:C[6a]-3:C-3:	C[5]-4:C[5]-4:C-3:	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]2)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C[5])	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]2)	C[6a](C[6a]C[6a]H)2(CC[5]2){1|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C[5]){1|S<4>,2|H<1>}	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	122.7653	30.490	2156	122.7933	30.267	2187